2-(oxiran-2-yl)-1-phenylpropan-2-amine

C11H15NO — CID 87554885

IUPAC2-(oxiran-2-yl)-1-phenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)C1CO1
InChIInChI=1S/C11H15NO/c1-11(12,10-8-13-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyFBVCCQNJAYNHSL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.35
Rot. Bonds3

About 2-(oxiran-2-yl)-1-phenylpropan-2-amine

2-(oxiran-2-yl)-1-phenylpropan-2-amine (PubChem CID 87554885) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1-phenylpropan-2-amine
PubChem CID87554885
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(oxiran-2-yl)-1-phenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)C1CO1
InChIInChI=1S/C11H15NO/c1-11(12,10-8-13-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyFBVCCQNJAYNHSL-UHFFFAOYSA-N
XLogP1.35
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane
CID 11009562
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
CID 11971167
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
CID 139677646
2-(oxiran-2-yl)-1,1-diphenylethanamine
CID 154084026
tert-butyl N-[2-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamate
CID 87172993
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-1-phenylpropan-2-amine?
The IUPAC name of 2-(oxiran-2-yl)-1-phenylpropan-2-amine (CID 87554885) is 2-(oxiran-2-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 2-(oxiran-2-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 2-(oxiran-2-yl)-1-phenylpropan-2-amine is CC(N)(Cc1ccccc1)C1CO1.
What is the InChIKey of 2-(oxiran-2-yl)-1-phenylpropan-2-amine?
The InChIKey is FBVCCQNJAYNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(12,10-8-13-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3.
What are the key properties of 2-(oxiran-2-yl)-1-phenylpropan-2-amine?
2-(oxiran-2-yl)-1-phenylpropan-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 87554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).