2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile

C24H22N2O — CID 126740807

IUPAC2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile
SMILESN#CC(N[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c25-16-24(20-9-5-2-6-10-20)26-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14,22-24,26H,15,17H2/t22-,23+,24?/m0/s1
InChIKeyBNTACPNPVQJSAC-XAGPSQNTSA-N
MW354.45 g/mol
LogP4.98
Rot. Bonds7

About 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile

2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile (PubChem CID 126740807) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile
PubChem CID126740807
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile
SMILESN#CC(N[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c25-16-24(20-9-5-2-6-10-20)26-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14,22-24,26H,15,17H2/t22-,23+,24?/m0/s1
InChIKeyBNTACPNPVQJSAC-XAGPSQNTSA-N
XLogP4.98
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
trans-(1R,2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;dihydrochloride
CID 89123889
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile?
The IUPAC name of 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile (CID 126740807) is 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile.
What is the SMILES notation for 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile?
The canonical SMILES for 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile is N#CC(N[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile?
The InChIKey is BNTACPNPVQJSAC-XAGPSQNTSA-N. The full InChI is InChI=1S/C24H22N2O/c25-16-24(20-9-5-2-6-10-20)26-23-15-22(23)19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14,22-24,26H,15,17H2/t22-,23+,24?/m0/s1.
What are the key properties of 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile?
2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile has a molecular weight of 354.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile is sourced from PubChem (CID 126740807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).