(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol

C19H26N2O — CID 44574882

IUPAC(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol
SMILESCc1ccc(N(C)[C@@H](c2ccccc2)[C@H](O)CN(C)C)cc1
InChIInChI=1S/C19H26N2O/c1-15-10-12-17(13-11-15)21(4)19(18(22)14-20(2)3)16-8-6-5-7-9-16/h5-13,18-19,22H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeySTZYVQIHBQCDSY-MOPGFXCFSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds6

About (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol

(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol (PubChem CID 44574882) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol
PubChem CID44574882
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol
SMILESCc1ccc(N(C)[C@@H](c2ccccc2)[C@H](O)CN(C)C)cc1
InChIInChI=1S/C19H26N2O/c1-15-10-12-17(13-11-15)21(4)19(18(22)14-20(2)3)16-8-6-5-7-9-16/h5-13,18-19,22H,14H2,1-4H3/t18-,19+/m1/s1
InChIKeySTZYVQIHBQCDSY-MOPGFXCFSA-N
XLogP3.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol (CID 44574882) is (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol is Cc1ccc(N(C)[C@@H](c2ccccc2)[C@H](O)CN(C)C)cc1.
What is the InChIKey of (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol?
The InChIKey is STZYVQIHBQCDSY-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15-10-12-17(13-11-15)21(4)19(18(22)14-20(2)3)16-8-6-5-7-9-16/h5-13,18-19,22H,14H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol?
(1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(dimethylamino)-1-(N,4-dimethylanilino)-1-phenylpropan-2-ol is sourced from PubChem (CID 44574882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).