4-methyl-2,6-diphenylbenzene-1,3-diamine

C19H18N2 — CID 174990680

IUPAC4-methyl-2,6-diphenylbenzene-1,3-diamine
SMILESCc1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1N
InChIInChI=1S/C19H18N2/c1-13-12-16(14-8-4-2-5-9-14)19(21)17(18(13)20)15-10-6-3-7-11-15/h2-12H,20-21H2,1H3
InChIKeyYXNUIFSFGMQNSX-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.49
Rot. Bonds2

About 4-methyl-2,6-diphenylbenzene-1,3-diamine

4-methyl-2,6-diphenylbenzene-1,3-diamine (PubChem CID 174990680) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-2,6-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-2,6-diphenylbenzene-1,3-diamine
PubChem CID174990680
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-methyl-2,6-diphenylbenzene-1,3-diamine
SMILESCc1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1N
InChIInChI=1S/C19H18N2/c1-13-12-16(14-8-4-2-5-9-14)19(21)17(18(13)20)15-10-6-3-7-11-15/h2-12H,20-21H2,1H3
InChIKeyYXNUIFSFGMQNSX-UHFFFAOYSA-N
XLogP4.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.49
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

2,3-dimethyl-4,6-diphenylaniline
CID 139240980
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
CID 66739305
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
3,4,5-triphenylaniline
CID 123249258
3-methyl-5-phenylbenzene-1,2-diamine
CID 67211058
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-diphenylbenzene-1,3-diamine?
The IUPAC name of 4-methyl-2,6-diphenylbenzene-1,3-diamine (CID 174990680) is 4-methyl-2,6-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 4-methyl-2,6-diphenylbenzene-1,3-diamine?
The canonical SMILES for 4-methyl-2,6-diphenylbenzene-1,3-diamine is Cc1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1N.
What is the InChIKey of 4-methyl-2,6-diphenylbenzene-1,3-diamine?
The InChIKey is YXNUIFSFGMQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13-12-16(14-8-4-2-5-9-14)19(21)17(18(13)20)15-10-6-3-7-11-15/h2-12H,20-21H2,1H3.
What are the key properties of 4-methyl-2,6-diphenylbenzene-1,3-diamine?
4-methyl-2,6-diphenylbenzene-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 174990680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).