2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine

C15H18N2 — CID 55146226

IUPAC2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
SMILESCc1ccc(CNc2cccc(N)c2C)cc1
InChIInChI=1S/C15H18N2/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3
InChIKeyGBVPVTZISVREDI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine

2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine (PubChem CID 55146226) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
PubChem CID55146226
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
SMILESCc1ccc(CNc2cccc(N)c2C)cc1
InChIInChI=1S/C15H18N2/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3
InChIKeyGBVPVTZISVREDI-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
4-bromo-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 65343098
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
2-chloro-6-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 62500937
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine (CID 55146226) is 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine is Cc1ccc(CNc2cccc(N)c2C)cc1.
What is the InChIKey of 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine?
The InChIKey is GBVPVTZISVREDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine?
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 55146226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).