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

C11H17NO — CID 18645437

IUPAC(1S)-1-(dimethylamino)-1-phenylpropan-1-ol
SMILESCC[C@](O)(c1ccccc1)N(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyOEDROJFBGOPTFU-NSHDSACASA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds3

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

(1S)-1-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 18645437) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1S)-1-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID18645437
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1S)-1-(dimethylamino)-1-phenylpropan-1-ol
SMILESCC[C@](O)(c1ccccc1)N(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyOEDROJFBGOPTFU-NSHDSACASA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(dimethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S)-1-(dimethylamino)-1-phenylpropan-1-ol (CID 18645437) is (1S)-1-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-(dimethylamino)-1-phenylpropan-1-ol is CC[C@](O)(c1ccccc1)N(C)C.
What is the InChIKey of (1S)-1-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is OEDROJFBGOPTFU-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(dimethylamino)-1-phenylpropan-1-ol?
(1S)-1-(dimethylamino)-1-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(dimethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 18645437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).