1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile

C18H18N2 — CID 115242095

IUPAC1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1(C#N)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-20(14-18(13-19)11-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-12,14H2,1H3
InChIKeyXNCFLDYNHHQCGL-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.09
Rot. Bonds4

About 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile

1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 115242095) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID115242095
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1(C#N)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-20(14-18(13-19)11-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-12,14H2,1H3
InChIKeyXNCFLDYNHHQCGL-UHFFFAOYSA-N
XLogP4.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242171
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
N-iodo-4-phenyl-N-(4-phenylphenyl)aniline
CID 138489036
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933

Frequently Asked Questions

What is the IUPAC name of 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile (CID 115242095) is 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile is CN(CC1(C#N)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is XNCFLDYNHHQCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(14-18(13-19)11-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-12,14H2,1H3.
What are the key properties of 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).