N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline

C21H19N5 — CID 165387763

IUPACN-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline
SMILESCN(c1cccc(-c2ccccc2)c1)c1ccccc1-c1nnn(C)n1
InChIInChI=1S/C21H19N5/c1-25(18-12-8-11-17(15-18)16-9-4-3-5-10-16)20-14-7-6-13-19(20)21-22-24-26(2)23-21/h3-15H,1-2H3
InChIKeyOZTWWNYFRKKUQW-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline

N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline (PubChem CID 165387763) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline
PubChem CID165387763
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC NameN-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline
SMILESCN(c1cccc(-c2ccccc2)c1)c1ccccc1-c1nnn(C)n1
InChIInChI=1S/C21H19N5/c1-25(18-12-8-11-17(15-18)16-9-4-3-5-10-16)20-14-7-6-13-19(20)21-22-24-26(2)23-21/h3-15H,1-2H3
InChIKeyOZTWWNYFRKKUQW-UHFFFAOYSA-N
XLogP4.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477
2-(9H-carbazol-2-yl)-N-methyl-N-phenylaniline
CID 137483229
N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine;1-N-methyl-1-N-naphthalen-2-yl-2-N,2-N-diphenylbenzene-1,2-diamine
CID 158025779
1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 160529888
N-methyl-2-phenyl-N-[3-[3-[2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-6-yl]phenyl]phenyl]aniline
CID 142551001
5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole
CID 146634887
4-(3H-indol-2-yl)-N-methyl-N-(4-phenylphenyl)aniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-2-phenylaniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-3-phenylaniline;4-[3-(3H-indol-2-yl)phenyl]-N-methyl-N-phenylaniline
CID 158357708

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline?
The IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline (CID 165387763) is N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline is CN(c1cccc(-c2ccccc2)c1)c1ccccc1-c1nnn(C)n1.
What is the InChIKey of N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline?
The InChIKey is OZTWWNYFRKKUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-25(18-12-8-11-17(15-18)16-9-4-3-5-10-16)20-14-7-6-13-19(20)21-22-24-26(2)23-21/h3-15H,1-2H3.
What are the key properties of N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline?
N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline has a molecular weight of 341.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyltetrazol-5-yl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 165387763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).