1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one

C121H153F2N11O7 — CID 162163799

IUPAC1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESCN1CCN(CCN[C@@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1.C[C@@H]1CC1c1ccc(OCc2ccccc2)cc1.C[C@@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1ccccc1.O=C(CNC1CC1c1ccccc1)C[C@@H]1CCNC1.O=C(CNC1CC1c1ccccc1)C[C@H]1CCNC1
InChIInChI=1S/C23H31N3O.C17H16F2O.C17H18O.4C16H22N2O/c1-25-13-15-26(16-14-25)12-11-24-23-17-22(23)20-7-9-21(10-8-20)27-18-19-5-3-2-4-6-19;1-11-7-14(11)15-8-13(18)9-16(19)17(15)20-10-12-5-3-2-4-6-12;1-13-11-17(13)15-7-9-16(10-8-15)18-12-14-5-3-2-4-6-14;2*1-12-7-8-18(11-12)16(19)10-17-15-9-14(15)13-5-3-2-4-6-13;2*19-14(8-12-6-7-17-10-12)11-18-16-9-15(16)13-4-2-1-3-5-13/h2-10,22-24H,11-18H2,1H3;2-6,8-9,11,14H,7,10H2,1H3;2-10,13,17H,11-12H2,1H3;2*2-6,12,14-15,17H,7-11H2,1H3;2*1-5,12,15-18H,6-11H2/t22?,23-;11-,14-;13-,17?;2*12-,14?,15?;2*12-,15?,16?/m1011010/s1
InChIKeyZMVSAWTXVDSIPF-YIKXWEFBSA-N
MW1911.62 g/mol
LogP19.42
Rot. Bonds36

About 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one

1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one (PubChem CID 162163799) has the molecular formula C121H153F2N11O7 and a molecular weight of 1911.62 g/mol. Its IUPAC name is 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
PubChem CID162163799
Molecular FormulaC121H153F2N11O7
Molecular Weight1911.62 g/mol
Exact Mass1910.19
IUPAC Name1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESCN1CCN(CCN[C@@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1.C[C@@H]1CC1c1ccc(OCc2ccccc2)cc1.C[C@@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1ccccc1.O=C(CNC1CC1c1ccccc1)C[C@@H]1CCNC1.O=C(CNC1CC1c1ccccc1)C[C@H]1CCNC1
InChIInChI=1S/C23H31N3O.C17H16F2O.C17H18O.4C16H22N2O/c1-25-13-15-26(16-14-25)12-11-24-23-17-22(23)20-7-9-21(10-8-20)27-18-19-5-3-2-4-6-19;1-11-7-14(11)15-8-13(18)9-16(19)17(15)20-10-12-5-3-2-4-6-12;1-13-11-17(13)15-7-9-16(10-8-15)18-12-14-5-3-2-4-6-14;2*1-12-7-8-18(11-12)16(19)10-17-15-9-14(15)13-5-3-2-4-6-13;2*19-14(8-12-6-7-17-10-12)11-18-16-9-15(16)13-4-2-1-3-5-13/h2-10,22-24H,11-18H2,1H3;2-6,8-9,11,14H,7,10H2,1H3;2-10,13,17H,11-12H2,1H3;2*2-6,12,14-15,17H,7-11H2,1H3;2*1-5,12,15-18H,6-11H2/t22?,23-;11-,14-;13-,17?;2*12-,14?,15?;2*12-,15?,16?/m1011010/s1
InChIKeyZMVSAWTXVDSIPF-YIKXWEFBSA-N
XLogP19.42
TPSA193.14 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.62
LogP ≤ 519.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one with MolForge

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Related Compounds

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
CID 137401925
trans-(1R,2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;dihydrochloride
CID 89123889
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223
1-(4-methylpiperazin-1-yl)-2-[[2-[4-(2-phenylethoxy)phenyl]cyclopropyl]amino]ethanone
CID 66978908
2-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67371892
2-[[(1R,2S)-2-[4-[(3-chlorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 45376078
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 137402199
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 142514214
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 162611121
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 67065292

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The IUPAC name of 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one (CID 162163799) is 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one is CN1CCN(CCN[C@@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1.C[C@@H]1CC1c1ccc(OCc2ccccc2)cc1.C[C@@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1CCN(C(=O)CNC2CC2c2ccccc2)C1.C[C@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1ccccc1.O=C(CNC1CC1c1ccccc1)C[C@@H]1CCNC1.O=C(CNC1CC1c1ccccc1)C[C@H]1CCNC1.
What is the InChIKey of 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The InChIKey is ZMVSAWTXVDSIPF-YIKXWEFBSA-N. The full InChI is InChI=1S/C23H31N3O.C17H16F2O.C17H18O.4C16H22N2O/c1-25-13-15-26(16-14-25)12-11-24-23-17-22(23)20-7-9-21(10-8-20)27-18-19-5-3-2-4-6-19;1-11-7-14(11)15-8-13(18)9-16(19)17(15)20-10-12-5-3-2-4-6-12;1-13-11-17(13)15-7-9-16(10-8-15)18-12-14-5-3-2-4-6-14;2*1-12-7-8-18(11-12)16(19)10-17-15-9-14(15)13-5-3-2-4-6-13;2*19-14(8-12-6-7-17-10-12)11-18-16-9-15(16)13-4-2-1-3-5-13/h2-10,22-24H,11-18H2,1H3;2-6,8-9,11,14H,7,10H2,1H3;2-10,13,17H,11-12H2,1H3;2*2-6,12,14-15,17H,7-11H2,1H3;2*1-5,12,15-18H,6-11H2/t22?,23-;11-,14-;13-,17?;2*12-,14?,15?;2*12-,15?,16?/m1011010/s1.
What are the key properties of 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one has a molecular weight of 1911.62 g/mol, XLogP of 19.42, 36 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 162163799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).