3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol

C18H23NO2 — CID 65190689

IUPAC3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)18(20)16(11-19)15-6-4-5-7-17(15)21-3/h4-10,16,18,20H,11,19H2,1-3H3
InChIKeyZPIJZCKNVNNHRV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol

3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 65190689) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
PubChem CID65190689
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)18(20)16(11-19)15-6-4-5-7-17(15)21-3/h4-10,16,18,20H,11,19H2,1-3H3
InChIKeyZPIJZCKNVNNHRV-UHFFFAOYSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-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-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 107994881
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
1-amino-2-(2-methoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65190228
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol (CID 65190689) is 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(CN)C(O)c1cc(C)cc(C)c1.
What is the InChIKey of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is ZPIJZCKNVNNHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)18(20)16(11-19)15-6-4-5-7-17(15)21-3/h4-10,16,18,20H,11,19H2,1-3H3.
What are the key properties of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol?
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65190689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).