(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride

C14H18Cl2F3NO — CID 171263981

IUPAC(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17ClF3NO.ClH/c15-11-9(6-3-7-10(11)14(16,17)18)12(19)13(20)8-4-1-2-5-8;/h3,6-8,12-13,20H,1-2,4-5,19H2;1H/t12-,13+;/m1./s1
InChIKeyGJGNIBZDJPXWSD-KZCZEQIWSA-N
MW344.20 g/mol
LogP4.33
Rot. Bonds3

About (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride

(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride (PubChem CID 171263981) has the molecular formula C14H18Cl2F3NO and a molecular weight of 344.20 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
PubChem CID171263981
Molecular FormulaC14H18Cl2F3NO
Molecular Weight344.20 g/mol
Exact Mass343.07
IUPAC Name(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17ClF3NO.ClH/c15-11-9(6-3-7-10(11)14(16,17)18)12(19)13(20)8-4-1-2-5-8;/h3,6-8,12-13,20H,1-2,4-5,19H2;1H/t12-,13+;/m1./s1
InChIKeyGJGNIBZDJPXWSD-KZCZEQIWSA-N
XLogP4.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263985
(1S,2R)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171269660
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171263988
(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 171269045
(1R,2S)-2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171268985
(1S,2R)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171265706
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(1R,2S)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171271379
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride (CID 171263981) is (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride is Cl.N[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride?
The InChIKey is GJGNIBZDJPXWSD-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H17ClF3NO.ClH/c15-11-9(6-3-7-10(11)14(16,17)18)12(19)13(20)8-4-1-2-5-8;/h3,6-8,12-13,20H,1-2,4-5,19H2;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride?
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride has a molecular weight of 344.20 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride is sourced from PubChem (CID 171263981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).