1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine

C18H24ClN3 — CID 125445190

IUPAC1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
SMILESCc1nccn1CC[C@H](C)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3/c1-14(7-11-22-12-10-20-15(22)2)21-18(8-9-18)13-16-3-5-17(19)6-4-16/h3-6,10,12,14,21H,7-9,11,13H2,1-2H3/t14-/m0/s1
InChIKeyUFTBJYFXYJLTQU-AWEZNQCLSA-N
MW317.86 g/mol
LogP3.99
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine

1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine (PubChem CID 125445190) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
PubChem CID125445190
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
SMILESCc1nccn1CC[C@H](C)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3/c1-14(7-11-22-12-10-20-15(22)2)21-18(8-9-18)13-16-3-5-17(19)6-4-16/h3-6,10,12,14,21H,7-9,11,13H2,1-2H3/t14-/m0/s1
InChIKeyUFTBJYFXYJLTQU-AWEZNQCLSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(2R)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 125445191
N-[(4-chlorophenyl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 19429371
1-(4-chlorophenyl)-N-[1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 122568487
1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 125445145
N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide
CID 125438156
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole
CID 70525045
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 62538462
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine (CID 125445190) is 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine is Cc1nccn1CC[C@H](C)NC1(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The InChIKey is UFTBJYFXYJLTQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24ClN3/c1-14(7-11-22-12-10-20-15(22)2)21-18(8-9-18)13-16-3-5-17(19)6-4-16/h3-6,10,12,14,21H,7-9,11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine?
1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(2S)-4-(2-methylimidazol-1-yl)butan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 125445190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).