(1S)-1-(dimethylamino)-3-phenylpropan-1-ol

C11H17NO — CID 54291399

IUPAC(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
SMILESCN(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRXTMAZFGZXDZOV-NSHDSACASA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds4

About (1S)-1-(dimethylamino)-3-phenylpropan-1-ol

(1S)-1-(dimethylamino)-3-phenylpropan-1-ol (PubChem CID 54291399) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1S)-1-(dimethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
PubChem CID54291399
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
SMILESCN(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRXTMAZFGZXDZOV-NSHDSACASA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(dimethylamino)-3-phenylpropan-1-ol?
The IUPAC name of (1S)-1-(dimethylamino)-3-phenylpropan-1-ol (CID 54291399) is (1S)-1-(dimethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-(dimethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-(dimethylamino)-3-phenylpropan-1-ol is CN(C)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (1S)-1-(dimethylamino)-3-phenylpropan-1-ol?
The InChIKey is RXTMAZFGZXDZOV-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(dimethylamino)-3-phenylpropan-1-ol?
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(dimethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 54291399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).