(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride

C14H20ClF2NO2 — CID 171262769

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)F)c1)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H19F2NO2.ClH/c15-14(16)19-11-7-3-6-10(8-11)12(17)13(18)9-4-1-2-5-9;/h3,6-9,12-14,18H,1-2,4-5,17H2;1H/t12-,13+;/m1./s1
InChIKeyWEOHHKJRKAKJKW-KZCZEQIWSA-N
MW307.77 g/mol
LogP3.26
Rot. Bonds5

About (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 171262769) has the molecular formula C14H20ClF2NO2 and a molecular weight of 307.77 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID171262769
Molecular FormulaC14H20ClF2NO2
Molecular Weight307.77 g/mol
Exact Mass307.12
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)F)c1)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H19F2NO2.ClH/c15-14(16)19-11-7-3-6-10(8-11)12(17)13(18)9-4-1-2-5-9;/h3,6-9,12-14,18H,1-2,4-5,17H2;1H/t12-,13+;/m1./s1
InChIKeyWEOHHKJRKAKJKW-KZCZEQIWSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(1S,2R)-2-amino-1-cyclobutyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol;hydrochloride
CID 171159807
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
methyl 3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]benzoate;hydrochloride
CID 171270805
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride (CID 171262769) is (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride is Cl.N[C@H](c1cccc(OC(F)F)c1)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is WEOHHKJRKAKJKW-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H19F2NO2.ClH/c15-14(16)19-11-7-3-6-10(8-11)12(17)13(18)9-4-1-2-5-9;/h3,6-9,12-14,18H,1-2,4-5,17H2;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 307.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171262769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).