4-[(4-amino-3-methylanilino)methyl]phenol

C14H16N2O — CID 23437192

IUPAC4-[(4-amino-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2ccc(O)cc2)ccc1N
InChIInChI=1S/C14H16N2O/c1-10-8-12(4-7-14(10)15)16-9-11-2-5-13(17)6-3-11/h2-8,16-17H,9,15H2,1H3
InChIKeyXAAPDFINBSRRER-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.89
Rot. Bonds3

About 4-[(4-amino-3-methylanilino)methyl]phenol

4-[(4-amino-3-methylanilino)methyl]phenol (PubChem CID 23437192) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[(4-amino-3-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(4-amino-3-methylanilino)methyl]phenol
PubChem CID23437192
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-[(4-amino-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2ccc(O)cc2)ccc1N
InChIInChI=1S/C14H16N2O/c1-10-8-12(4-7-14(10)15)16-9-11-2-5-13(17)6-3-11/h2-8,16-17H,9,15H2,1H3
InChIKeyXAAPDFINBSRRER-UHFFFAOYSA-N
XLogP2.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-amino-3-methylanilino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-amino-3-methylanilino)methyl]benzonitrile
CID 62268769
2-amino-4-[(4-hydroxyanilino)methyl]phenol
CID 105487893
4-amino-3-methylphenol;4-(methylamino)phenol
CID 69014448
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
4-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol
CID 59364819
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
4-[(3,5-ditert-butylanilino)methyl]phenol
CID 175424672
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylanilino)methyl]phenol?
The IUPAC name of 4-[(4-amino-3-methylanilino)methyl]phenol (CID 23437192) is 4-[(4-amino-3-methylanilino)methyl]phenol.
What is the SMILES notation for 4-[(4-amino-3-methylanilino)methyl]phenol?
The canonical SMILES for 4-[(4-amino-3-methylanilino)methyl]phenol is Cc1cc(NCc2ccc(O)cc2)ccc1N.
What is the InChIKey of 4-[(4-amino-3-methylanilino)methyl]phenol?
The InChIKey is XAAPDFINBSRRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-8-12(4-7-14(10)15)16-9-11-2-5-13(17)6-3-11/h2-8,16-17H,9,15H2,1H3.
What are the key properties of 4-[(4-amino-3-methylanilino)methyl]phenol?
4-[(4-amino-3-methylanilino)methyl]phenol has a molecular weight of 228.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylanilino)methyl]phenol is sourced from PubChem (CID 23437192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).