[(2R,3S)-3-phenyloxiran-2-yl]methanamine

C9H11NO — CID 10964671

IUPAC[(2R,3S)-3-phenyloxiran-2-yl]methanamine
SMILESNC[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H11NO/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
InChIKeyHHGZCFDVFNFNLX-BDAKNGLRSA-N
MW149.19 g/mol
LogP1.09
Rot. Bonds2

About [(2R,3S)-3-phenyloxiran-2-yl]methanamine

[(2R,3S)-3-phenyloxiran-2-yl]methanamine (PubChem CID 10964671) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is [(2R,3S)-3-phenyloxiran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-3-phenyloxiran-2-yl]methanamine
PubChem CID10964671
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name[(2R,3S)-3-phenyloxiran-2-yl]methanamine
SMILESNC[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H11NO/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
InChIKeyHHGZCFDVFNFNLX-BDAKNGLRSA-N
XLogP1.09
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2R,3S)-3-phenyloxiran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-(chloromethyl)-3-phenyloxirane
CID 55301046
(2S,3R)-2-(chloromethyl)-3-phenyloxirane
CID 11052058
2-(3-phenyloxiran-2-yl)acetamide
CID 130019466
2-[(2R,3S)-3-phenyloxiran-2-yl]acetic acid
CID 135891060
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
2-(3-bromopropyl)-3-phenyloxirane
CID 134870798
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
CID 141414590
2-[(3-phenyloxiran-2-yl)methyl]oxetane
CID 175051190
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-phenyloxiran-2-yl]methanamine?
The IUPAC name of [(2R,3S)-3-phenyloxiran-2-yl]methanamine (CID 10964671) is [(2R,3S)-3-phenyloxiran-2-yl]methanamine.
What is the SMILES notation for [(2R,3S)-3-phenyloxiran-2-yl]methanamine?
The canonical SMILES for [(2R,3S)-3-phenyloxiran-2-yl]methanamine is NC[C@H]1O[C@H]1c1ccccc1.
What is the InChIKey of [(2R,3S)-3-phenyloxiran-2-yl]methanamine?
The InChIKey is HHGZCFDVFNFNLX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H11NO/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1.
What are the key properties of [(2R,3S)-3-phenyloxiran-2-yl]methanamine?
[(2R,3S)-3-phenyloxiran-2-yl]methanamine has a molecular weight of 149.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-phenyloxiran-2-yl]methanamine is sourced from PubChem (CID 10964671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).