(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol

C12H16FNO — CID 171267876

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](N)[C@H](O)C2CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-7-6-9(4-5-10(7)13)11(14)12(15)8-2-3-8/h4-6,8,11-12,15H,2-3,14H2,1H3/t11-,12+/m0/s1
InChIKeyLCYNWMBOELBLNR-NWDGAFQWSA-N
MW209.26 g/mol
LogP1.90
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol

(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 171267876) 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-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
PubChem CID171267876
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](N)[C@H](O)C2CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-7-6-9(4-5-10(7)13)11(14)12(15)8-2-3-8/h4-6,8,11-12,15H,2-3,14H2,1H3/t11-,12+/m0/s1
InChIKeyLCYNWMBOELBLNR-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

(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(1R,2S)-2-amino-1-cyclopropyl-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161607

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol (CID 171267876) is (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol is Cc1cc([C@H](N)[C@H](O)C2CC2)ccc1F.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is LCYNWMBOELBLNR-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-6-9(4-5-10(7)13)11(14)12(15)8-2-3-8/h4-6,8,11-12,15H,2-3,14H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 171267876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).