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

C14H16N2 — CID 62588854

IUPAC4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILESCc1cccc(Nc2cc(N)ccc2C)c1
InChIInChI=1S/C14H16N2/c1-10-4-3-5-13(8-10)16-14-9-12(15)7-6-11(14)2/h3-9,16H,15H2,1-2H3
InChIKeyHMBGFLZEGYKZAW-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.63
Rot. Bonds2

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

4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine (PubChem CID 62588854) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
PubChem CID62588854
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILESCc1cccc(Nc2cc(N)ccc2C)c1
InChIInChI=1S/C14H16N2/c1-10-4-3-5-13(8-10)16-14-9-12(15)7-6-11(14)2/h3-9,16H,15H2,1-2H3
InChIKeyHMBGFLZEGYKZAW-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.63
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-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
3-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 107571479
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
CID 66253174
3-N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-4-methylbenzene-1,3-diamine
CID 141160011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine (CID 62588854) is 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine is Cc1cccc(Nc2cc(N)ccc2C)c1.
What is the InChIKey of 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The InChIKey is HMBGFLZEGYKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-4-3-5-13(8-10)16-14-9-12(15)7-6-11(14)2/h3-9,16H,15H2,1-2H3.
What are the key properties of 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 62588854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).