3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile

C15H14N2O — CID 62982382

IUPAC3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(CO)cc1)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O/c1-17(14-7-5-12(11-18)6-8-14)15-4-2-3-13(9-15)10-16/h2-9,18H,11H2,1H3
InChIKeyZCGHDFMDPPGNKH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.82
Rot. Bonds3

About 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile

3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile (PubChem CID 62982382) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
PubChem CID62982382
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(CO)cc1)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O/c1-17(14-7-5-12(11-18)6-8-14)15-4-2-3-13(9-15)10-16/h2-9,18H,11H2,1H3
InChIKeyZCGHDFMDPPGNKH-UHFFFAOYSA-N
XLogP2.82
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 63075668
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
[4-(N-methylanilino)phenyl]methanol
CID 43121031
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
3-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103938718
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N,3-diphenylaniline;3-[N-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 158146375
3-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 59431954
[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium
CID 143684762
3-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile
CID 158019618
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile?
The IUPAC name of 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile (CID 62982382) is 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile.
What is the SMILES notation for 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile?
The canonical SMILES for 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile is CN(c1ccc(CO)cc1)c1cccc(C#N)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile?
The InChIKey is ZCGHDFMDPPGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(14-7-5-12(11-18)6-8-14)15-4-2-3-13(9-15)10-16/h2-9,18H,11H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile?
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile is sourced from PubChem (CID 62982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).