1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol

C16H27NO — CID 55068286

IUPAC1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CC(C)N(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(2)11-14(3)17(5)12-16(4,18)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyXKRQDHPIPJNCLQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds6

About 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol

1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol (PubChem CID 55068286) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
PubChem CID55068286
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CC(C)N(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(2)11-14(3)17(5)12-16(4,18)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyXKRQDHPIPJNCLQ-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid
CID 62375672
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-amino-2-methyl-3-[methyl(4-methylpentan-2-yl)amino]propan-1-ol
CID 64826194
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
5-methyl-3-pentoxy-2-phenylhexan-2-ol
CID 174353818
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
3-methyl-2-phenylpentan-2-ol
CID 13024634
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol (CID 55068286) is 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol is CC(C)CC(C)N(C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol?
The InChIKey is XKRQDHPIPJNCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)11-14(3)17(5)12-16(4,18)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3.
What are the key properties of 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol?
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 55068286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).