(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol

C17H21NO — CID 94271417

IUPAC(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
SMILESCc1ccc(NCC[C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO/c1-13-8-9-16(12-14(13)2)18-11-10-17(19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1
InChIKeySSFYEDOCTQFXHZ-QGZVFWFLSA-N
MW255.36 g/mol
LogP3.84
Rot. Bonds5

About (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol

(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol (PubChem CID 94271417) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
PubChem CID94271417
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
SMILESCc1ccc(NCC[C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO/c1-13-8-9-16(12-14(13)2)18-11-10-17(19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1
InChIKeySSFYEDOCTQFXHZ-QGZVFWFLSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol (CID 94271417) is (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol is Cc1ccc(NCC[C@@H](O)c2ccccc2)cc1C.
What is the InChIKey of (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol?
The InChIKey is SSFYEDOCTQFXHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-8-9-16(12-14(13)2)18-11-10-17(19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol?
(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol is sourced from PubChem (CID 94271417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).