2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline

C16H17N5 — CID 43700201

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1cccc(CNc2cc(-n3cnnn3)ccc2C)c1
InChIInChI=1S/C16H17N5/c1-12-4-3-5-14(8-12)10-17-16-9-15(7-6-13(16)2)21-11-18-19-20-21/h3-9,11,17H,10H2,1-2H3
InChIKeyMIHHGWGVMCOVNM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline

2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 43700201) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID43700201
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1cccc(CNc2cc(-n3cnnn3)ccc2C)c1
InChIInChI=1S/C16H17N5/c1-12-4-3-5-14(8-12)10-17-16-9-15(7-6-13(16)2)21-11-18-19-20-21/h3-9,11,17H,10H2,1-2H3
InChIKeyMIHHGWGVMCOVNM-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
2-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(tetrazol-1-yl)aniline
CID 47064018
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline (CID 43700201) is 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline is Cc1cccc(CNc2cc(-n3cnnn3)ccc2C)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is MIHHGWGVMCOVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-4-3-5-14(8-12)10-17-16-9-15(7-6-13(16)2)21-11-18-19-20-21/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline?
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 279.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).