4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol

C12H19NO2 — CID 43117941

IUPAC4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
SMILESCc1cc(CC(CN)CO)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8-3-10(4-9(2)12(8)15)5-11(6-13)7-14/h3-4,11,14-15H,5-7,13H2,1-2H3
InChIKeyALNGGSNYJGAVRP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds4

About 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol

4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol (PubChem CID 43117941) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
PubChem CID43117941
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
SMILESCc1cc(CC(CN)CO)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8-3-10(4-9(2)12(8)15)5-11(6-13)7-14/h3-4,11,14-15H,5-7,13H2,1-2H3
InChIKeyALNGGSNYJGAVRP-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol 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

(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
4-[2-(aminomethyl)-3-hydroxypropyl]-2-chloro-6-ethoxyphenol
CID 83977198
2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
CID 83923743
2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
CID 83931466
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
CID 83977179
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
[3-(4-hydroxy-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 23378247
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanedioic acid
CID 67989850

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol (CID 43117941) is 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol is Cc1cc(CC(CN)CO)cc(C)c1O.
What is the InChIKey of 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol?
The InChIKey is ALNGGSNYJGAVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-3-10(4-9(2)12(8)15)5-11(6-13)7-14/h3-4,11,14-15H,5-7,13H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol?
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol has a molecular weight of 209.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol is sourced from PubChem (CID 43117941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).