(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride

C12H17ClFNO — CID 171267945

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-7-2-5-9(13)6-10(7)11(14)12(15)8-3-4-8;/h2,5-6,8,11-12,15H,3-4,14H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyQWWDPPJCUQZARS-ZVWHLABXSA-N
MW245.72 g/mol
LogP2.33
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride (PubChem CID 171267945) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
PubChem CID171267945
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-7-2-5-9(13)6-10(7)11(14)12(15)8-3-4-8;/h2,5-6,8,11-12,15H,3-4,14H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyQWWDPPJCUQZARS-ZVWHLABXSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171262268
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride (CID 171267945) is (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride is Cc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride?
The InChIKey is QWWDPPJCUQZARS-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-7-2-5-9(13)6-10(7)11(14)12(15)8-3-4-8;/h2,5-6,8,11-12,15H,3-4,14H2,1H3;1H/t11-,12+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171267945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).