(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol

C17H20ClNO — CID 70004979

IUPAC(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol
SMILESCC(Cc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13(10-14-6-3-2-4-7-14)19-12-17(20)15-8-5-9-16(18)11-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1
InChIKeyOKQDXFQCTVKFKQ-RUINGEJQSA-N
MW289.81 g/mol
LogP3.59
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol

(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol (PubChem CID 70004979) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol
PubChem CID70004979
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol
SMILESCC(Cc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13(10-14-6-3-2-4-7-14)19-12-17(20)15-8-5-9-16(18)11-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1
InChIKeyOKQDXFQCTVKFKQ-RUINGEJQSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol (CID 70004979) is (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol is CC(Cc1ccccc1)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol?
The InChIKey is OKQDXFQCTVKFKQ-RUINGEJQSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(10-14-6-3-2-4-7-14)19-12-17(20)15-8-5-9-16(18)11-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol?
(1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-(1-phenylpropan-2-ylamino)ethanol is sourced from PubChem (CID 70004979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).