2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline

C16H18ClN3 — CID 89329226

IUPAC2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline
SMILESC/C(=N\N(C)c1ccc(Cl)cc1)c1cc(C)ccc1N
InChIInChI=1S/C16H18ClN3/c1-11-4-9-16(18)15(10-11)12(2)19-20(3)14-7-5-13(17)6-8-14/h4-10H,18H2,1-3H3/b19-12+
InChIKeyOVBKPVFCEIYUQO-XDHOZWIPSA-N
MW287.79 g/mol
LogP4.09
Rot. Bonds3

About 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline

2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline (PubChem CID 89329226) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline
PubChem CID89329226
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline
SMILESC/C(=N\N(C)c1ccc(Cl)cc1)c1cc(C)ccc1N
InChIInChI=1S/C16H18ClN3/c1-11-4-9-16(18)15(10-11)12(2)19-20(3)14-7-5-13(17)6-8-14/h4-10H,18H2,1-3H3/b19-12+
InChIKeyOVBKPVFCEIYUQO-XDHOZWIPSA-N
XLogP4.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073
4-chloro-2-[(E)-N-(N,4-dimethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987753
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine
CID 89329276
4-chloro-2-[(E)-C-methyl-N-[N-methyl-3-(trifluoromethyl)anilino]carbonimidoyl]aniline
CID 89327189
2-[(E)-N-(4-bromo-N-propylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329495
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
2-[(E)-N-(2-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329206
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline
CID 89327170
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
CID 89326911
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
CID 89327099
2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329463
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
CID 89327166

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline?
The IUPAC name of 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline (CID 89329226) is 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline.
What is the SMILES notation for 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline?
The canonical SMILES for 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline is C/C(=N\N(C)c1ccc(Cl)cc1)c1cc(C)ccc1N.
What is the InChIKey of 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline?
The InChIKey is OVBKPVFCEIYUQO-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-11-4-9-16(18)15(10-11)12(2)19-20(3)14-7-5-13(17)6-8-14/h4-10H,18H2,1-3H3/b19-12+.
What are the key properties of 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline?
2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline has a molecular weight of 287.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline is sourced from PubChem (CID 89329226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).