N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine

C16H17N5 — CID 67698857

IUPACN-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
SMILESCn1nnc(-c2cccc(CNCc3ccccc3)c2)n1
InChIInChI=1S/C16H17N5/c1-21-19-16(18-20-21)15-9-5-8-14(10-15)12-17-11-13-6-3-2-4-7-13/h2-10,17H,11-12H2,1H3
InChIKeyLIUDOXXOCRQYJY-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.17
Rot. Bonds5

About N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine

N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 67698857) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
PubChem CID67698857
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
SMILESCn1nnc(-c2cccc(CNCc3ccccc3)c2)n1
InChIInChI=1S/C16H17N5/c1-21-19-16(18-20-21)15-9-5-8-14(10-15)12-17-11-13-6-3-2-4-7-13/h2-10,17H,11-12H2,1H3
InChIKeyLIUDOXXOCRQYJY-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine (CID 67698857) is N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine is Cn1nnc(-c2cccc(CNCc3ccccc3)c2)n1.
What is the InChIKey of N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is LIUDOXXOCRQYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21-19-16(18-20-21)15-9-5-8-14(10-15)12-17-11-13-6-3-2-4-7-13/h2-10,17H,11-12H2,1H3.
What are the key properties of N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine?
N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 67698857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).