2-(1,3-benzoxazol-2-yl)-2-phenylethanamine

C15H14N2O — CID 55129005

IUPAC2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C15H14N2O/c16-10-12(11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2
InChIKeyOVVCDSHAHQRAJI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.92
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine

2-(1,3-benzoxazol-2-yl)-2-phenylethanamine (PubChem CID 55129005) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
PubChem CID55129005
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C15H14N2O/c16-10-12(11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2
InChIKeyOVVCDSHAHQRAJI-UHFFFAOYSA-N
XLogP2.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 82720763
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
2-[phenyl(thiophen-3-yl)methyl]-1,3-benzoxazole
CID 177462064
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine (CID 55129005) is 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine is NCC(c1ccccc1)c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine?
The InChIKey is OVVCDSHAHQRAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-12(11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine?
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 55129005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).