4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol

C15H25NO2 — CID 61056815

IUPAC4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-4-11-16-15(2,12-17)10-9-13-5-7-14(18-3)8-6-13/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyJLWYNUVSWIPQBB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds8

About 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol

4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 61056815) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID61056815
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-4-11-16-15(2,12-17)10-9-13-5-7-14(18-3)8-6-13/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyJLWYNUVSWIPQBB-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)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

4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
3-(ethylamino)-5-(4-methoxyphenyl)-3-methylpentan-1-ol
CID 65235107
5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790140
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64803042
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol (CID 61056815) is 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is JLWYNUVSWIPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-11-16-15(2,12-17)10-9-13-5-7-14(18-3)8-6-13/h5-8,16-17H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol?
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 61056815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).