1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol

C15H25NO2 — CID 82313813

IUPAC1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-13(16-10(2)3)15(17)12-7-8-14(18-5)11(4)9-12/h7-10,13,15-17H,6H2,1-5H3
InChIKeyPOYHKAGRCWUABS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.81
Rot. Bonds6

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

1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82313813) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID82313813
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-13(16-10(2)3)15(17)12-7-8-14(18-5)11(4)9-12/h7-10,13,15-17H,6H2,1-5H3
InChIKeyPOYHKAGRCWUABS-UHFFFAOYSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
1-(4-butan-2-ylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315949
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856
2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
CID 82313839
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol (CID 82313813) is 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol is CCC(NC(C)C)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is POYHKAGRCWUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(16-10(2)3)15(17)12-7-8-14(18-5)11(4)9-12/h7-10,13,15-17H,6H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol?
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82313813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).