2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine

C15H12ClFN2O — CID 82720763

IUPAC2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C15H12ClFN2O/c16-11-6-13-14(7-12(11)17)20-15(19-13)10(8-18)9-4-2-1-3-5-9/h1-7,10H,8,18H2
InChIKeySGDHJCHHCHEENO-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.71
Rot. Bonds3

About 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine

2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine (PubChem CID 82720763) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine
PubChem CID82720763
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C15H12ClFN2O/c16-11-6-13-14(7-12(11)17)20-15(19-13)10(8-18)9-4-2-1-3-5-9/h1-7,10H,8,18H2
InChIKeySGDHJCHHCHEENO-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine (CID 82720763) is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine is NCC(c1ccccc1)c1nc2cc(Cl)c(F)cc2o1.
What is the InChIKey of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The InChIKey is SGDHJCHHCHEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-11-6-13-14(7-12(11)17)20-15(19-13)10(8-18)9-4-2-1-3-5-9/h1-7,10H,8,18H2.
What are the key properties of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine?
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine has a molecular weight of 290.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 82720763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).