2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine

C14H15N3 — CID 155482417

IUPAC2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cccc(C)c1)c1cc(N)ccc1N
InChIInChI=1S/C14H15N3/c1-9-3-2-4-10(7-9)14(17)12-8-11(15)5-6-13(12)16/h2-8,17H,15-16H2,1H3/b17-14+
InChIKeyRMOXXNUTPUCRPC-SAPNQHFASA-N
MW225.29 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine

2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine (PubChem CID 155482417) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
PubChem CID155482417
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cccc(C)c1)c1cc(N)ccc1N
InChIInChI=1S/C14H15N3/c1-9-3-2-4-10(7-9)14(17)12-8-11(15)5-6-13(12)16/h2-8,17H,15-16H2,1H3/b17-14+
InChIKeyRMOXXNUTPUCRPC-SAPNQHFASA-N
XLogP2.58
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.58
H-Bond Donors ≤ 53
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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Related Compounds

2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530
4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
CID 163940472
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805
2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
N-(2,3-dihydroxypropyl)formamide;2-(3-fluorobenzenecarboximidoyl)-4-methylaniline
CID 142179115
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771
2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
3-(furan-3-carboximidoyl)-4-methylaniline
CID 155482576
2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
CID 155482379
methyl 3-methylbenzenecarboximidothioate
CID 58503711
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine?
The IUPAC name of 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine (CID 155482417) is 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine is [H]/N=C(\c1cccc(C)c1)c1cc(N)ccc1N.
What is the InChIKey of 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine?
The InChIKey is RMOXXNUTPUCRPC-SAPNQHFASA-N. The full InChI is InChI=1S/C14H15N3/c1-9-3-2-4-10(7-9)14(17)12-8-11(15)5-6-13(12)16/h2-8,17H,15-16H2,1H3/b17-14+.
What are the key properties of 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine?
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine has a molecular weight of 225.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 155482417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).