N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline

C16H17N5 — CID 43687122

IUPACN-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H17N5/c1-12-6-8-13(9-7-12)11-17-15-5-3-4-14(10-15)16-18-19-20-21(16)2/h3-10,17H,11H2,1-2H3
InChIKeyLXDHRHSCCGHNRD-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.80
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline

N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687122) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687122
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H17N5/c1-12-6-8-13(9-7-12)11-17-15-5-3-4-14(10-15)16-18-19-20-21(16)2/h3-10,17H,11H2,1-2H3
InChIKeyLXDHRHSCCGHNRD-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-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-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687182
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092605
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline (CID 43687122) is N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline is Cc1ccc(CNc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is LXDHRHSCCGHNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-6-8-13(9-7-12)11-17-15-5-3-4-14(10-15)16-18-19-20-21(16)2/h3-10,17H,11H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 279.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).