2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine

C15H14ClN5 — CID 81159918

IUPAC2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2nnc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H14ClN5/c16-13-10-11(8-9-17)6-7-14(13)21-19-15(18-20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,17H2
InChIKeyINUMZJDIYHUDFK-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.48
Rot. Bonds4

About 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine

2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (PubChem CID 81159918) has the molecular formula C15H14ClN5 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
PubChem CID81159918
Molecular FormulaC15H14ClN5
Molecular Weight299.76 g/mol
Exact Mass299.09
IUPAC Name2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2nnc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H14ClN5/c16-13-10-11(8-9-17)6-7-14(13)21-19-15(18-20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,17H2
InChIKeyINUMZJDIYHUDFK-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (CID 81159918) is 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine is NCCc1ccc(-n2nnc(-c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine?
The InChIKey is INUMZJDIYHUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-10-11(8-9-17)6-7-14(13)21-19-15(18-20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,17H2.
What are the key properties of 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine?
2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine has a molecular weight of 299.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 81159918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).