N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine

C20H24ClN5 — CID 1438744

IUPACN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C20H24ClN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-9-5-4-6-10-16)14-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3
InChIKeyOTQKAEUMIHJOBL-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.28
Rot. Bonds6

About N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine

N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine (PubChem CID 1438744) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine
PubChem CID1438744
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C20H24ClN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-9-5-4-6-10-16)14-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3
InChIKeyOTQKAEUMIHJOBL-UHFFFAOYSA-N
XLogP4.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine (CID 1438744) is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine is CC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine?
The InChIKey is OTQKAEUMIHJOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-9-5-4-6-10-16)14-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3.
What are the key properties of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine?
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine has a molecular weight of 369.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 1438744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).