2-[(2-methylanilino)methyl]phenol

C14H15NO — CID 3240149

IUPAC2-[(2-methylanilino)methyl]phenol
SMILESCc1ccccc1NCc1ccccc1O
InChIInChI=1S/C14H15NO/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16/h2-9,15-16H,10H2,1H3
InChIKeyAUQKRVLSLWIOKW-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.31
Rot. Bonds3

About 2-[(2-methylanilino)methyl]phenol

2-[(2-methylanilino)methyl]phenol (PubChem CID 3240149) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-methylanilino)methyl]phenol
PubChem CID3240149
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[(2-methylanilino)methyl]phenol
SMILESCc1ccccc1NCc1ccccc1O
InChIInChI=1S/C14H15NO/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16/h2-9,15-16H,10H2,1H3
InChIKeyAUQKRVLSLWIOKW-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
3-[(2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 43727465
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylanilino)methyl]phenol?
The IUPAC name of 2-[(2-methylanilino)methyl]phenol (CID 3240149) is 2-[(2-methylanilino)methyl]phenol.
What is the SMILES notation for 2-[(2-methylanilino)methyl]phenol?
The canonical SMILES for 2-[(2-methylanilino)methyl]phenol is Cc1ccccc1NCc1ccccc1O.
What is the InChIKey of 2-[(2-methylanilino)methyl]phenol?
The InChIKey is AUQKRVLSLWIOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16/h2-9,15-16H,10H2,1H3.
What are the key properties of 2-[(2-methylanilino)methyl]phenol?
2-[(2-methylanilino)methyl]phenol has a molecular weight of 213.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylanilino)methyl]phenol is sourced from PubChem (CID 3240149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).