2-amino-1-cyclopropyl-1-phenylethanol

C11H15NO — CID 71683828

IUPAC2-amino-1-cyclopropyl-1-phenylethanol
SMILESNCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C11H15NO/c12-8-11(13,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2
InChIKeyWQOWZFCVILEMHI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.24
Rot. Bonds3

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

2-amino-1-cyclopropyl-1-phenylethanol (PubChem CID 71683828) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-phenylethanol
PubChem CID71683828
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-1-cyclopropyl-1-phenylethanol
SMILESNCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C11H15NO/c12-8-11(13,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2
InChIKeyWQOWZFCVILEMHI-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287772
3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
CID 22155909
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol
CID 130387830
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-phenylethanol?
The IUPAC name of 2-amino-1-cyclopropyl-1-phenylethanol (CID 71683828) is 2-amino-1-cyclopropyl-1-phenylethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-phenylethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-1-phenylethanol is NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-phenylethanol?
The InChIKey is WQOWZFCVILEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-8-11(13,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2.
What are the key properties of 2-amino-1-cyclopropyl-1-phenylethanol?
2-amino-1-cyclopropyl-1-phenylethanol has a molecular weight of 177.25 g/mol, XLogP of 1.24, 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-1-phenylethanol is sourced from PubChem (CID 71683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).