(2S)-2-(dimethylamino)-3-phenylpropan-1-ol

C11H17NO — CID 13148462

IUPAC(2S)-2-(dimethylamino)-3-phenylpropan-1-ol
SMILESCN(C)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWWJAUYRBYPFPDH-NSHDSACASA-N
MW179.26 g/mol
LogP1.15
Rot. Bonds4

About (2S)-2-(dimethylamino)-3-phenylpropan-1-ol

(2S)-2-(dimethylamino)-3-phenylpropan-1-ol (PubChem CID 13148462) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-phenylpropan-1-ol
PubChem CID13148462
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-(dimethylamino)-3-phenylpropan-1-ol
SMILESCN(C)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H17NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWWJAUYRBYPFPDH-NSHDSACASA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(dimethylamino)-3-phenylpropan-1-ol (CID 13148462) is (2S)-2-(dimethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(dimethylamino)-3-phenylpropan-1-ol is CN(C)[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dimethylamino)-3-phenylpropan-1-ol?
The InChIKey is WWJAUYRBYPFPDH-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-12(2)11(9-13)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 (2S)-2-(dimethylamino)-3-phenylpropan-1-ol?
(2S)-2-(dimethylamino)-3-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 13148462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).