(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol

C14H21NO2 — CID 171264329

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-9(2)17-12-7-5-10(6-8-12)13(15)14(16)11-3-4-11/h5-9,11,13-14,16H,3-4,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyJUJDGAHMJLBMDK-KGLIPLIRSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds5

About (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 171264329) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
PubChem CID171264329
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-9(2)17-12-7-5-10(6-8-12)13(15)14(16)11-3-4-11/h5-9,11,13-14,16H,3-4,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyJUJDGAHMJLBMDK-KGLIPLIRSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
(1S,2R)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171270016
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol (CID 171264329) is (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is JUJDGAHMJLBMDK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)17-12-7-5-10(6-8-12)13(15)14(16)11-3-4-11/h5-9,11,13-14,16H,3-4,15H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.24, 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-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 171264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).