3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine

C25H26N4 — CID 67882576

IUPAC3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
SMILESCc1ccc(-c2ccccc2)c(N)c1N.Nc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C13H14N2.C12H12N2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10;13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h2-8H,14-15H2,1H3;1-8H,13-14H2
InChIKeyNYVIECDQLQLFQC-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.34
Rot. Bonds2

About 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine

3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine (PubChem CID 67882576) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
PubChem CID67882576
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
SMILESCc1ccc(-c2ccccc2)c(N)c1N.Nc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C13H14N2.C12H12N2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10;13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h2-8H,14-15H2,1H3;1-8H,13-14H2
InChIKeyNYVIECDQLQLFQC-UHFFFAOYSA-N
XLogP5.34
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbenzene-1,2-diamine
CID 18968019
3-phenylbenzene-1,2-diamine;propane
CID 70378466
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
CID 175025707
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
2-methyl-3-phenylaniline
CID 10511683
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665
CID 159962191
CID 159962191
1-methyl-4,8-diphenylazulene
CID 86056773
3-methylbenzene-1,2-diamine
CID 162019775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine?
The IUPAC name of 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine (CID 67882576) is 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine?
The canonical SMILES for 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine is Cc1ccc(-c2ccccc2)c(N)c1N.Nc1cccc(-c2ccccc2)c1N.
What is the InChIKey of 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine?
The InChIKey is NYVIECDQLQLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H12N2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10;13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h2-8H,14-15H2,1H3;1-8H,13-14H2.
What are the key properties of 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine?
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine has a molecular weight of 382.51 g/mol, XLogP of 5.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 67882576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).