1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol

C14H23NO2 — CID 82314283

IUPAC1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-13(15-10(2)3)14(16)11-7-6-8-12(9-11)17-4/h6-10,13-16H,5H2,1-4H3
InChIKeyODAKAKIBVYKGNE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol

1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82314283) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID82314283
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-13(15-10(2)3)14(16)11-7-6-8-12(9-11)17-4/h6-10,13-16H,5H2,1-4H3
InChIKeyODAKAKIBVYKGNE-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-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

(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol (CID 82314283) is 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol is CCC(NC(C)C)C(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is ODAKAKIBVYKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-13(15-10(2)3)14(16)11-7-6-8-12(9-11)17-4/h6-10,13-16H,5H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82314283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).