4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile

C15H14N2O — CID 62981172

IUPAC4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccccc1CO
InChIInChI=1S/C15H14N2O/c1-17(14-8-6-12(10-16)7-9-14)15-5-3-2-4-13(15)11-18/h2-9,18H,11H2,1H3
InChIKeyXRINLBTYZUXFAE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.82
Rot. Bonds3

About 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile

4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile (PubChem CID 62981172) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile
PubChem CID62981172
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccccc1CO
InChIInChI=1S/C15H14N2O/c1-17(14-8-6-12(10-16)7-9-14)15-5-3-2-4-13(15)11-18/h2-9,18H,11H2,1H3
InChIKeyXRINLBTYZUXFAE-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

4-[2-(1-hydroxyethyl)-N-methylanilino]benzonitrile
CID 62981699
4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
CID 170263045
4-(N-methyl-2-nitroanilino)benzonitrile
CID 62983487
3-[2-(chloromethyl)-N-methylanilino]benzonitrile
CID 62981874
4-[4-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 114846631
4-[4-(hydroxymethyl)-N-methyl-2-nitroanilino]benzonitrile
CID 62980818
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
CID 60772346
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
3-[amino(methyl)amino]-2-(hydroxymethyl)benzonitrile
CID 144830653

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile?
The IUPAC name of 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile (CID 62981172) is 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile.
What is the SMILES notation for 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile?
The canonical SMILES for 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile is CN(c1ccc(C#N)cc1)c1ccccc1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile?
The InChIKey is XRINLBTYZUXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(14-8-6-12(10-16)7-9-14)15-5-3-2-4-13(15)11-18/h2-9,18H,11H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile?
4-[2-(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 4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile is sourced from PubChem (CID 62981172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).