2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol

C16H27NO — CID 116546306

IUPAC2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CNC(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)9-14-7-6-8-15(10-14)16(5,18)11-17-13(3)4/h6-8,10,12-13,17-18H,9,11H2,1-5H3
InChIKeyTWQXPWJNELAVNM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.09
Rot. Bonds6

About 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol

2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol (PubChem CID 116546306) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
PubChem CID116546306
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CNC(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)9-14-7-6-8-15(10-14)16(5,18)11-17-13(3)4/h6-8,10,12-13,17-18H,9,11H2,1-5H3
InChIKeyTWQXPWJNELAVNM-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-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

2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol (CID 116546306) is 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol is CC(C)Cc1cccc(C(C)(O)CNC(C)C)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is TWQXPWJNELAVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)9-14-7-6-8-15(10-14)16(5,18)11-17-13(3)4/h6-8,10,12-13,17-18H,9,11H2,1-5H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol?
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 116546306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).