2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine

C14H15N3O — CID 155481805

IUPAC2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(/c1cc(N)ccc1N)c1ccccc1OC
InChIInChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,17H,15-16H2,1H3/b17-14+
InChIKeyYARQFGFAPHABKC-SAPNQHFASA-N
MW241.29 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine

2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine (PubChem CID 155481805) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
PubChem CID155481805
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(/c1cc(N)ccc1N)c1ccccc1OC
InChIInChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,17H,15-16H2,1H3/b17-14+
InChIKeyYARQFGFAPHABKC-SAPNQHFASA-N
XLogP2.28
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
1-(2-methoxyphenyl)ethanimine
CID 154457857
2-(2-methylbenzenecarboximidoyl)aniline
CID 130017935
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
2-prop-2-enimidoylbenzene-1,4-diamine
CID 176988538
2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
CID 155482379
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
cyclopropyl-(2-methoxyphenyl)methanimine
CID 131860989
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
2-methoxyaniline;4-methylaniline
CID 159047028

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine?
The IUPAC name of 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine (CID 155481805) is 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine is [H]/N=C(/c1cc(N)ccc1N)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine?
The InChIKey is YARQFGFAPHABKC-SAPNQHFASA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,17H,15-16H2,1H3/b17-14+.
What are the key properties of 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine?
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine has a molecular weight of 241.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 155481805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).