2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine

C15H13ClN2O — CID 81433835

IUPAC2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C15H13ClN2O/c16-12-6-3-7-13-14(12)19-15(18-13)11-5-2-1-4-10(11)8-9-17/h1-7H,8-9,17H2
InChIKeyRZDOYUIFJNPCRR-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.65
Rot. Bonds3

About 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine

2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine (PubChem CID 81433835) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
PubChem CID81433835
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C15H13ClN2O/c16-12-6-3-7-13-14(12)19-15(18-13)11-5-2-1-4-10(11)8-9-17/h1-7H,8-9,17H2
InChIKeyRZDOYUIFJNPCRR-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine (CID 81433835) is 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine is NCCc1ccccc1-c1nc2cccc(Cl)c2o1.
What is the InChIKey of 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
The InChIKey is RZDOYUIFJNPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-6-3-7-13-14(12)19-15(18-13)11-5-2-1-4-10(11)8-9-17/h1-7H,8-9,17H2.
What are the key properties of 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine?
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine has a molecular weight of 272.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 81433835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).