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

C16H27NO — CID 113350453

IUPAC3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
SMILESCC(C)(CNCC(O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-15(2,3)14(18)11-17-12-16(4,5)13-9-7-6-8-10-13/h6-10,14,17-18H,11-12H2,1-5H3
InChIKeyWDLRJTYXHNKEAD-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds5

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

3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol (PubChem CID 113350453) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
PubChem CID113350453
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
SMILESCC(C)(CNCC(O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-15(2,3)14(18)11-17-12-16(4,5)13-9-7-6-8-10-13/h6-10,14,17-18H,11-12H2,1-5H3
InChIKeyWDLRJTYXHNKEAD-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol (CID 113350453) is 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol is CC(C)(CNCC(O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
The InChIKey is WDLRJTYXHNKEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)14(18)11-17-12-16(4,5)13-9-7-6-8-10-13/h6-10,14,17-18H,11-12H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol?
3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol is sourced from PubChem (CID 113350453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).