2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol

C16H27NO — CID 115899639

IUPAC2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(2)16(5,18)12-17-11-15(3,4)14-9-7-6-8-10-14/h6-10,13,17-18H,11-12H2,1-5H3
InChIKeyNEFZEWLEKIKDHN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds6

About 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol

2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol (PubChem CID 115899639) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
PubChem CID115899639
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(2)16(5,18)12-17-11-15(3,4)14-9-7-6-8-10-14/h6-10,13,17-18H,11-12H2,1-5H3
InChIKeyNEFZEWLEKIKDHN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 113350453
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol (CID 115899639) is 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol is CC(C)C(C)(O)CNCC(C)(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The InChIKey is NEFZEWLEKIKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(5,18)12-17-11-15(3,4)14-9-7-6-8-10-14/h6-10,13,17-18H,11-12H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol is sourced from PubChem (CID 115899639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).