1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol

C15H25NO — CID 55068898

IUPAC1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CCN(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)10-11-16(4)12-15(3,17)14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3
InChIKeyDYHWFLZRGASJGX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.87
Rot. Bonds6

About 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol

1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol (PubChem CID 55068898) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
PubChem CID55068898
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CCN(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)10-11-16(4)12-15(3,17)14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3
InChIKeyDYHWFLZRGASJGX-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-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

1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
CID 115919417
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol
CID 105416136
1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 63698566

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol (CID 55068898) is 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol is CC(C)CCN(C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol?
The InChIKey is DYHWFLZRGASJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)10-11-16(4)12-15(3,17)14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3.
What are the key properties of 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol?
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 55068898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).