N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

C24H25N5 — CID 5149594

IUPACN-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(C)c1-n1nnnc1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25N5/c1-19-10-9-11-20(2)24(19)29-23(25-26-27-29)18-28(16-21-12-5-3-6-13-21)17-22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3
InChIKeyPXQPANPSINUTAX-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.48
Rot. Bonds7

About N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (PubChem CID 5149594) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
PubChem CID5149594
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(C)c1-n1nnnc1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25N5/c1-19-10-9-11-20(2)24(19)29-23(25-26-27-29)18-28(16-21-12-5-3-6-13-21)17-22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3
InChIKeyPXQPANPSINUTAX-UHFFFAOYSA-N
XLogP4.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (CID 5149594) is N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is Cc1cccc(C)c1-n1nnnc1CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The InChIKey is PXQPANPSINUTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-19-10-9-11-20(2)24(19)29-23(25-26-27-29)18-28(16-21-12-5-3-6-13-21)17-22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3.
What are the key properties of N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine has a molecular weight of 383.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 5149594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).