cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile

C19H19ClN2 — CID 23584113

IUPACcis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@@H]1CN(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2/c20-19-8-6-16(7-9-19)13-22(14-18-10-17(18)11-21)12-15-4-2-1-3-5-15/h1-9,17-18H,10,12-14H2/t17-,18+/m0/s1
InChIKeyJKABKAZXDCPHJR-ZWKOTPCHSA-N
MW310.83 g/mol
LogP4.50
Rot. Bonds6

About cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile

cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 23584113) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID23584113
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Namecis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@@H]1CN(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2/c20-19-8-6-16(7-9-19)13-22(14-18-10-17(18)11-21)12-15-4-2-1-3-5-15/h1-9,17-18H,10,12-14H2/t17-,18+/m0/s1
InChIKeyJKABKAZXDCPHJR-ZWKOTPCHSA-N
XLogP4.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine
CID 130161533
2-[[benzyl(oxiran-2-ylmethyl)amino]methyl]-4-chlorophenol
CID 102344635
1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 4991366
phenyl N'-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-N-cyanocarbamimidate
CID 142934505
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
2-(4-chlorophenyl)-2-cyclobutyl-5-(dibenzylamino)pentanenitrile
CID 21181745
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile (CID 23584113) is cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile is N#C[C@@H]1C[C@@H]1CN(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is JKABKAZXDCPHJR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19ClN2/c20-19-8-6-16(7-9-19)13-22(14-18-10-17(18)11-21)12-15-4-2-1-3-5-15/h1-9,17-18H,10,12-14H2/t17-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 310.83 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 23584113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).