(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol

C18H19Cl2NO — CID 89490500

IUPAC(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
SMILESO[C@H](c1cccc(Cl)c1)[C@H](NCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c19-15-8-6-13(7-9-15)17(21-11-12-4-5-12)18(22)14-2-1-3-16(20)10-14/h1-3,6-10,12,17-18,21-22H,4-5,11H2/t17-,18-/m1/s1
InChIKeyAXQAXNRQMHTXPG-QZTJIDSGSA-N
MW336.26 g/mol
LogP4.77
Rot. Bonds6

About (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol

(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol (PubChem CID 89490500) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol.

Molecular Properties

Compound Name(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
PubChem CID89490500
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
SMILESO[C@H](c1cccc(Cl)c1)[C@H](NCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c19-15-8-6-13(7-9-15)17(21-11-12-4-5-12)18(22)14-2-1-3-16(20)10-14/h1-3,6-10,12,17-18,21-22H,4-5,11H2/t17-,18-/m1/s1
InChIKeyAXQAXNRQMHTXPG-QZTJIDSGSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490501
1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 123964638
(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
CID 160646296
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol
CID 90341474
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
tert-butyl N-[(1S,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
CID 89490745
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The IUPAC name of (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol (CID 89490500) is (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol.
What is the SMILES notation for (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The canonical SMILES for (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol is O[C@H](c1cccc(Cl)c1)[C@H](NCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
The InChIKey is AXQAXNRQMHTXPG-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c19-15-8-6-13(7-9-15)17(21-11-12-4-5-12)18(22)14-2-1-3-16(20)10-14/h1-3,6-10,12,17-18,21-22H,4-5,11H2/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol?
(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol has a molecular weight of 336.26 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol is sourced from PubChem (CID 89490500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).