(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride

C19H24ClNO2 — CID 171263701

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)C1CCCC1
InChIInChI=1S/C19H23NO2.ClH/c20-18(19(21)15-6-4-5-7-15)14-10-12-17(13-11-14)22-16-8-2-1-3-9-16;/h1-3,8-13,15,18-19,21H,4-7,20H2;1H/t18-,19+;/m1./s1
InChIKeyKDTAOVBCJKIWFZ-VOMIJIAVSA-N
MW333.86 g/mol
LogP4.45
Rot. Bonds5

About (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride (PubChem CID 171263701) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
PubChem CID171263701
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)C1CCCC1
InChIInChI=1S/C19H23NO2.ClH/c20-18(19(21)15-6-4-5-7-15)14-10-12-17(13-11-14)22-16-8-2-1-3-9-16;/h1-3,8-13,15,18-19,21H,4-7,20H2;1H/t18-,19+;/m1./s1
InChIKeyKDTAOVBCJKIWFZ-VOMIJIAVSA-N
XLogP4.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride (CID 171263701) is (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride is Cl.N[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride?
The InChIKey is KDTAOVBCJKIWFZ-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c20-18(19(21)15-6-4-5-7-15)14-10-12-17(13-11-14)22-16-8-2-1-3-9-16;/h1-3,8-13,15,18-19,21H,4-7,20H2;1H/t18-,19+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.45, 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-(4-phenoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171263701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).