4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine

C14H15N3 — CID 145240971

IUPAC4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine
SMILESC=Nc1c(Nc2ccccc2)ccc(C)c1N
InChIInChI=1S/C14H15N3/c1-10-8-9-12(14(16-2)13(10)15)17-11-6-4-3-5-7-11/h3-9,17H,2,15H2,1H3
InChIKeyJLIQBIWYMKOQQJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine

4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine (PubChem CID 145240971) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine
PubChem CID145240971
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine
SMILESC=Nc1c(Nc2ccccc2)ccc(C)c1N
InChIInChI=1S/C14H15N3/c1-10-8-9-12(14(16-2)13(10)15)17-11-6-4-3-5-7-11/h3-9,17H,2,15H2,1H3
InChIKeyJLIQBIWYMKOQQJ-UHFFFAOYSA-N
XLogP3.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine (CID 145240971) is 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine is C=Nc1c(Nc2ccccc2)ccc(C)c1N.
What is the InChIKey of 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine?
The InChIKey is JLIQBIWYMKOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-8-9-12(14(16-2)13(10)15)17-11-6-4-3-5-7-11/h3-9,17H,2,15H2,1H3.
What are the key properties of 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine?
4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine has a molecular weight of 225.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylideneamino)-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 145240971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).