3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile

C15H12Cl2N2 — CID 102663839

IUPAC3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7,19H,9-10H2
InChIKeyJANBFNPMSNUYOP-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.15
Rot. Bonds4

About 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile

3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile (PubChem CID 102663839) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
PubChem CID102663839
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7,19H,9-10H2
InChIKeyJANBFNPMSNUYOP-UHFFFAOYSA-N
XLogP4.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 102664142
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
3-chloro-4-[(3-methylsulfanylpropylamino)methyl]benzonitrile
CID 102664562
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
CID 102663908
3-chloro-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 102664945
3-chloro-4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzonitrile
CID 114125536
3-chloro-4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 102664980
4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-chlorobenzonitrile
CID 102664489
3-chloro-4-[[2-(3-methylphenyl)ethylamino]methyl]benzonitrile
CID 102664430
3-chloro-4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]benzonitrile
CID 114093478
4-[(2-bromo-3-chloroanilino)methyl]-3-chlorobenzonitrile
CID 103479071
3-chloro-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzonitrile
CID 102664408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile (CID 102663839) is 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile is N#Cc1ccc(CNCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile?
The InChIKey is JANBFNPMSNUYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-14-4-2-1-3-12(14)9-19-10-13-6-5-11(8-18)7-15(13)17/h1-7,19H,9-10H2.
What are the key properties of 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile?
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile has a molecular weight of 291.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 102663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).