1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol

C12H19NO2 — CID 83909356

IUPAC1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
SMILESCOc1cc(C)ccc1C(C)C(O)CN
InChIInChI=1S/C12H19NO2/c1-8-4-5-10(12(6-8)15-3)9(2)11(14)7-13/h4-6,9,11,14H,7,13H2,1-3H3
InChIKeyIBXGUMSHMCUJTA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.43
Rot. Bonds4

About 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol

1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol (PubChem CID 83909356) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
PubChem CID83909356
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
SMILESCOc1cc(C)ccc1C(C)C(O)CN
InChIInChI=1S/C12H19NO2/c1-8-4-5-10(12(6-8)15-3)9(2)11(14)7-13/h4-6,9,11,14H,7,13H2,1-3H3
InChIKeyIBXGUMSHMCUJTA-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol 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-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790985
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2-methoxy-4-methylphenyl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol
CID 141115742
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol?
The IUPAC name of 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol (CID 83909356) is 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol is COc1cc(C)ccc1C(C)C(O)CN.
What is the InChIKey of 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol?
The InChIKey is IBXGUMSHMCUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-4-5-10(12(6-8)15-3)9(2)11(14)7-13/h4-6,9,11,14H,7,13H2,1-3H3.
What are the key properties of 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol?
1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol is sourced from PubChem (CID 83909356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).