2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol

C17H29NO — CID 65107916

IUPAC2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-6-17(5,19)13-18-14(2)12-16(3,4)15-10-8-7-9-11-15/h7-11,14,18-19H,6,12-13H2,1-5H3
InChIKeyGWHSDYWHLPUCKE-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.49
Rot. Bonds7

About 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol

2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol (PubChem CID 65107916) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
PubChem CID65107916
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-6-17(5,19)13-18-14(2)12-16(3,4)15-10-8-7-9-11-15/h7-11,14,18-19H,6,12-13H2,1-5H3
InChIKeyGWHSDYWHLPUCKE-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-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

3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylbutan-2-ol
CID 65108055
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol (CID 65107916) is 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol is CCC(C)(O)CNC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol?
The InChIKey is GWHSDYWHLPUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(5,19)13-18-14(2)12-16(3,4)15-10-8-7-9-11-15/h7-11,14,18-19H,6,12-13H2,1-5H3.
What are the key properties of 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol?
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 65107916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).