5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline

C14H14ClN3 — CID 121326587

IUPAC5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(NC)cc1
InChIInChI=1S/C14H14ClN3/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(17)13(12)8-16/h2-8,16,18H,17H2,1H3/b16-8+
InChIKeyZGWLEKXCGRAIGX-LZYBPNLTSA-N
MW259.74 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline

5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline (PubChem CID 121326587) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline
PubChem CID121326587
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(NC)cc1
InChIInChI=1S/C14H14ClN3/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(17)13(12)8-16/h2-8,16,18H,17H2,1H3/b16-8+
InChIKeyZGWLEKXCGRAIGX-LZYBPNLTSA-N
XLogP3.63
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.63
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'}

Analyze 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
CID 121326882
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine
CID 121326283
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N,N-dimethylbenzamide
CID 121326512
3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline
CID 121326939
2-chloro-3-methanimidoyl-1-N-methylbenzene-1,4-diamine
CID 134297751
1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine
CID 121326495
O-[1-(3-amino-5-chloro-2-methanimidoylphenyl)ethyl]hydroxylamine
CID 121326871
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-5-chloro-2-methanimidoylaniline
CID 163781869
[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
CID 91263358
3-chloro-2-methanimidoyl-4-methylaniline
CID 89070323

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline?
The IUPAC name of 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline (CID 121326587) is 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline.
What is the SMILES notation for 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline?
The canonical SMILES for 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline is [H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(NC)cc1.
What is the InChIKey of 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline?
The InChIKey is ZGWLEKXCGRAIGX-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(17)13(12)8-16/h2-8,16,18H,17H2,1H3/b16-8+.
What are the key properties of 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline?
5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline has a molecular weight of 259.74 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline is sourced from PubChem (CID 121326587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).