3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile

C15H14N2O — CID 107232132

IUPAC3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(NCc2cccc(CO)c2)c1
InChIInChI=1S/C15H14N2O/c16-9-12-3-2-6-15(8-12)17-10-13-4-1-5-14(7-13)11-18/h1-8,17-18H,10-11H2
InChIKeyUCOYQSYRNNBIDP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.66
Rot. Bonds4

About 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile

3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile (PubChem CID 107232132) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
PubChem CID107232132
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(NCc2cccc(CO)c2)c1
InChIInChI=1S/C15H14N2O/c16-9-12-3-2-6-15(8-12)17-10-13-4-1-5-14(7-13)11-18/h1-8,17-18H,10-11H2
InChIKeyUCOYQSYRNNBIDP-UHFFFAOYSA-N
XLogP2.66
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232121
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[(4-iodoanilino)methyl]benzonitrile
CID 28878768
2-[3-[[3-(hydroxymethyl)anilino]methyl]phenoxy]acetonitrile
CID 43784672
2-[4-[(3-cyanoanilino)methyl]phenyl]prop-2-enamide
CID 22478755
2-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 55204093
3-[(5-bromothiophen-3-yl)methylamino]benzonitrile
CID 43646973
3-[[3-(1,3-oxazol-2-yl)anilino]methyl]benzonitrile
CID 122160064
4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
3-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]methyl]benzonitrile
CID 71857280
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811
3-[(3-bromo-4-methoxyanilino)methyl]benzonitrile
CID 63999071

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile (CID 107232132) is 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile is N#Cc1cccc(NCc2cccc(CO)c2)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile?
The InChIKey is UCOYQSYRNNBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-9-12-3-2-6-15(8-12)17-10-13-4-1-5-14(7-13)11-18/h1-8,17-18H,10-11H2.
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile?
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 107232132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).