1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine

C15H14N2O — CID 15550302

IUPAC1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C15H14N2O/c1-10(16)11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)18-17-15/h2-10H,16H2,1H3
InChIKeyAMOUDQKMLCPXMW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.51
Rot. Bonds2

About 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine

1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine (PubChem CID 15550302) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
PubChem CID15550302
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C15H14N2O/c1-10(16)11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)18-17-15/h2-10H,16H2,1H3
InChIKeyAMOUDQKMLCPXMW-UHFFFAOYSA-N
XLogP3.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 164915406
1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine
CID 18357509
1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine
CID 18357508
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 18357475
[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
CID 18357457
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915756
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile
CID 174202525
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(5-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 164915501
(4S)-4-[2-(1,2-benzoxazol-3-yl)phenyl]-5-[6-(2-hydroxyethyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide
CID 171720267
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-3-carbonitrile;hydrochloride
CID 174201368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine (CID 15550302) is 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine is CC(N)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine?
The InChIKey is AMOUDQKMLCPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10(16)11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)18-17-15/h2-10H,16H2,1H3.
What are the key properties of 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine?
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 15550302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).