5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile

C16H16N2O2 — CID 65340609

IUPAC5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccccc2CO)cc1C#N
InChIInChI=1S/C16H16N2O2/c1-20-16-7-6-12(8-14(16)9-17)10-18-15-5-3-2-4-13(15)11-19/h2-8,18-19H,10-11H2,1H3
InChIKeyCKDRPKDDRYAAPW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds5

About 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile

5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile (PubChem CID 65340609) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
PubChem CID65340609
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccccc2CO)cc1C#N
InChIInChI=1S/C16H16N2O2/c1-20-16-7-6-12(8-14(16)9-17)10-18-15-5-3-2-4-13(15)11-19/h2-8,18-19H,10-11H2,1H3
InChIKeyCKDRPKDDRYAAPW-UHFFFAOYSA-N
XLogP2.67
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 111466492
5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile
CID 65336198
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
5-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 107230018
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
2-methoxy-4-[(2-methylsulfanylanilino)methyl]benzonitrile
CID 107644712
5-[(2,5-dimethylanilino)methyl]-2-methoxybenzonitrile
CID 65335959
5-[(2,5-dibromoanilino)methyl]-2-methoxybenzonitrile
CID 65341283
5-[(2,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336388
5-[(2-bromo-4-cyanoanilino)methyl]-2-methoxybenzonitrile
CID 65341093
2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile (CID 65340609) is 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile is COc1ccc(CNc2ccccc2CO)cc1C#N.
What is the InChIKey of 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile?
The InChIKey is CKDRPKDDRYAAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-16-7-6-12(8-14(16)9-17)10-18-15-5-3-2-4-13(15)11-19/h2-8,18-19H,10-11H2,1H3.
What are the key properties of 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile?
5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65340609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).