3-[3-(aminomethyl)-N-methylanilino]phenol

C14H16N2O — CID 107733668

IUPAC3-[3-(aminomethyl)-N-methylanilino]phenol
SMILESCN(c1cccc(O)c1)c1cccc(CN)c1
InChIInChI=1S/C14H16N2O/c1-16(13-6-3-7-14(17)9-13)12-5-2-4-11(8-12)10-15/h2-9,17H,10,15H2,1H3
InChIKeyJIUKEXLCBOBVGY-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.62
Rot. Bonds3

About 3-[3-(aminomethyl)-N-methylanilino]phenol

3-[3-(aminomethyl)-N-methylanilino]phenol (PubChem CID 107733668) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-N-methylanilino]phenol.

Molecular Properties

Compound Name3-[3-(aminomethyl)-N-methylanilino]phenol
PubChem CID107733668
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-[3-(aminomethyl)-N-methylanilino]phenol
SMILESCN(c1cccc(O)c1)c1cccc(CN)c1
InChIInChI=1S/C14H16N2O/c1-16(13-6-3-7-14(17)9-13)12-5-2-4-11(8-12)10-15/h2-9,17H,10,15H2,1H3
InChIKeyJIUKEXLCBOBVGY-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(aminomethyl)-N-methylanilino]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

3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol
CID 107733688
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
CID 107733664
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-N-methylanilino]phenol?
The IUPAC name of 3-[3-(aminomethyl)-N-methylanilino]phenol (CID 107733668) is 3-[3-(aminomethyl)-N-methylanilino]phenol.
What is the SMILES notation for 3-[3-(aminomethyl)-N-methylanilino]phenol?
The canonical SMILES for 3-[3-(aminomethyl)-N-methylanilino]phenol is CN(c1cccc(O)c1)c1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)-N-methylanilino]phenol?
The InChIKey is JIUKEXLCBOBVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16(13-6-3-7-14(17)9-13)12-5-2-4-11(8-12)10-15/h2-9,17H,10,15H2,1H3.
What are the key properties of 3-[3-(aminomethyl)-N-methylanilino]phenol?
3-[3-(aminomethyl)-N-methylanilino]phenol has a molecular weight of 228.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-N-methylanilino]phenol is sourced from PubChem (CID 107733668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).