1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine

C17H22ClN3 — CID 125445145

IUPAC1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
SMILESCCc1nccn1C[C@H](C)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3/c1-3-16-19-10-11-21(16)12-13(2)20-17(8-9-17)14-4-6-15(18)7-5-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyUVOYORBBXIAMCV-ZDUSSCGKSA-N
MW303.84 g/mol
LogP3.77
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine

1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine (PubChem CID 125445145) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
PubChem CID125445145
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
SMILESCCc1nccn1C[C@H](C)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3/c1-3-16-19-10-11-21(16)12-13(2)20-17(8-9-17)14-4-6-15(18)7-5-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyUVOYORBBXIAMCV-ZDUSSCGKSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 122568487
1-(2-ethylimidazol-1-yl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 122565585
1-[(4-chlorophenyl)methyl]-N-[(2R)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 125445191
1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 125445190
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64810311
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131897789
2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
CID 126847949
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine (CID 125445145) is 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine is CCc1nccn1C[C@H](C)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine?
The InChIKey is UVOYORBBXIAMCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-16-19-10-11-21(16)12-13(2)20-17(8-9-17)14-4-6-15(18)7-5-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine?
1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine has a molecular weight of 303.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 125445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).