4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine

C14H15N3 — CID 155713764

IUPAC4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILES[H]/N=C/c1ccc(N)cc1Nc1cccc(C)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-13(7-10)17-14-8-12(16)6-5-11(14)9-15/h2-9,15,17H,16H2,1H3/b15-9+
InChIKeyGYMCHNNFHUIQAW-OQLLNIDSSA-N
MW225.30 g/mol
LogP3.32
Rot. Bonds3

About 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine

4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine (PubChem CID 155713764) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
PubChem CID155713764
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILES[H]/N=C/c1ccc(N)cc1Nc1cccc(C)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-13(7-10)17-14-8-12(16)6-5-11(14)9-15/h2-9,15,17H,16H2,1H3/b15-9+
InChIKeyGYMCHNNFHUIQAW-OQLLNIDSSA-N
XLogP3.32
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.32
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-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
CID 155220408
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
ethane;4-methanimidoyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 177244096
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol
CID 145002743
3-methanimidoyl-4-methylaniline
CID 142987257
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine (CID 155713764) is 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine is [H]/N=C/c1ccc(N)cc1Nc1cccc(C)c1.
What is the InChIKey of 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The InChIKey is GYMCHNNFHUIQAW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-3-2-4-13(7-10)17-14-8-12(16)6-5-11(14)9-15/h2-9,15,17H,16H2,1H3/b15-9+.
What are the key properties of 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine has a molecular weight of 225.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 155713764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).