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

C12H16FNO — CID 171267944

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1
InChIInChI=1S/C12H16FNO/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/t11-,12+/m0/s1
InChIKeyCKUKPZJXAYSQEC-NWDGAFQWSA-N
MW209.26 g/mol
LogP1.90
Rot. Bonds3

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

(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 171267944) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID171267944
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1
InChIInChI=1S/C12H16FNO/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/t11-,12+/m0/s1
InChIKeyCKUKPZJXAYSQEC-NWDGAFQWSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945
(1S,2R)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171262268
(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
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(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
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol (CID 171267944) is (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1[C@H](N)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is CKUKPZJXAYSQEC-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16FNO/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/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 209.26 g/mol, XLogP of 1.90, 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 is sourced from PubChem (CID 171267944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).