2-amino-1-cyclopropyl-2-phenylethanol

C11H15NO — CID 62720038

IUPAC2-amino-1-cyclopropyl-2-phenylethanol
SMILESNC(c1ccccc1)C(O)C1CC1
InChIInChI=1S/C11H15NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2
InChIKeyJURILDOSEDJDBB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-1-cyclopropyl-2-phenylethanol

2-amino-1-cyclopropyl-2-phenylethanol (PubChem CID 62720038) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-2-phenylethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-2-phenylethanol
PubChem CID62720038
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-1-cyclopropyl-2-phenylethanol
SMILESNC(c1ccccc1)C(O)C1CC1
InChIInChI=1S/C11H15NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2
InChIKeyJURILDOSEDJDBB-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
CID 131188755
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171263701
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
CID 171266816
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-2-phenylethanol?
The IUPAC name of 2-amino-1-cyclopropyl-2-phenylethanol (CID 62720038) is 2-amino-1-cyclopropyl-2-phenylethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-2-phenylethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-2-phenylethanol is NC(c1ccccc1)C(O)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-2-phenylethanol?
The InChIKey is JURILDOSEDJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2.
What are the key properties of 2-amino-1-cyclopropyl-2-phenylethanol?
2-amino-1-cyclopropyl-2-phenylethanol has a molecular weight of 177.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-2-phenylethanol is sourced from PubChem (CID 62720038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).