(3S)-3-(methylamino)-3-phenylbutan-1-ol

C11H17NO — CID 174606710

IUPAC(3S)-3-(methylamino)-3-phenylbutan-1-ol
SMILESCN[C@@](C)(CCO)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(12-2,8-9-13)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyYBCMZRLOKDSCEV-NSHDSACASA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds4

About (3S)-3-(methylamino)-3-phenylbutan-1-ol

(3S)-3-(methylamino)-3-phenylbutan-1-ol (PubChem CID 174606710) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3S)-3-(methylamino)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name(3S)-3-(methylamino)-3-phenylbutan-1-ol
PubChem CID174606710
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3S)-3-(methylamino)-3-phenylbutan-1-ol
SMILESCN[C@@](C)(CCO)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(12-2,8-9-13)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyYBCMZRLOKDSCEV-NSHDSACASA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
CID 65235212
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
CID 65234980
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
3-phenyl-3-trimethylsilylbutan-1-ol
CID 15889374
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907198

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-3-phenylbutan-1-ol?
The IUPAC name of (3S)-3-(methylamino)-3-phenylbutan-1-ol (CID 174606710) is (3S)-3-(methylamino)-3-phenylbutan-1-ol.
What is the SMILES notation for (3S)-3-(methylamino)-3-phenylbutan-1-ol?
The canonical SMILES for (3S)-3-(methylamino)-3-phenylbutan-1-ol is CN[C@@](C)(CCO)c1ccccc1.
What is the InChIKey of (3S)-3-(methylamino)-3-phenylbutan-1-ol?
The InChIKey is YBCMZRLOKDSCEV-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-11(12-2,8-9-13)10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-3-phenylbutan-1-ol?
(3S)-3-(methylamino)-3-phenylbutan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-3-phenylbutan-1-ol is sourced from PubChem (CID 174606710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).