N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline

C26H30Cl2N2 — CID 134441608

IUPACN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline
SMILESC=C(C)CNC(=C)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(C)Cl)ccc1C
InChIInChI=1S/C26H30Cl2N2/c1-15(2)14-29-18(5)23-13-22(9-8-17(23)4)30-19(6)24-25(26(24,7)28)20-10-16(3)11-21(27)12-20/h8-13,24-25,29-30H,1,5-6,14H2,2-4,7H3
InChIKeyMCKFEWCKGOUFNP-UHFFFAOYSA-N
MW441.45 g/mol
LogP7.43
Rot. Bonds8

About N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline

N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline (PubChem CID 134441608) has the molecular formula C26H30Cl2N2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline
PubChem CID134441608
Molecular FormulaC26H30Cl2N2
Molecular Weight441.45 g/mol
Exact Mass440.18
IUPAC NameN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline
SMILESC=C(C)CNC(=C)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(C)Cl)ccc1C
InChIInChI=1S/C26H30Cl2N2/c1-15(2)14-29-18(5)23-13-22(9-8-17(23)4)30-19(6)24-25(26(24,7)28)20-10-16(3)11-21(27)12-20/h8-13,24-25,29-30H,1,5-6,14H2,2-4,7H3
InChIKeyMCKFEWCKGOUFNP-UHFFFAOYSA-N
XLogP7.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]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

N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
CID 134441588
N-[1-[5-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenylamino]-2-methylphenyl]ethenyl]-6-fluoro-3H-indol-5-amine
CID 138652759
N-[1-[2-chloro-3-(3,5-dimethylphenyl)-2-methylcyclopropyl]ethenyl]-3-ethenylaniline
CID 138652957
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
CID 138653517
N-[1-[3-(3-amino-4-fluorophenyl)-2-chloro-2-methylcyclopropyl]ethenyl]-4-chloro-3-methyl-5-[1-(2,2,2-trifluoroethylamino)ethenyl]aniline
CID 134441472
2-chloro-5-[[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2,2-difluoropropylcarbamoyl)cyclopropyl]benzamide
CID 138653754
4-[2-chloro-5-[1-[2-chloro-3-(3,5-dimethylphenyl)-2-methylcyclopropyl]ethenylamino]phenyl]-2-fluoro-N-methylaniline
CID 138653564
4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline
CID 138653193
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 162614076
3-(4-amino-2-methylphenyl)-N-[1-[2-chloro-3-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methylaniline
CID 138653566
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-3-[4-(3-fluoro-3-methylbutyl)phenyl]aniline
CID 138653468
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline?
The IUPAC name of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline (CID 134441608) is N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline.
What is the SMILES notation for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline?
The canonical SMILES for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline is C=C(C)CNC(=C)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(C)Cl)ccc1C.
What is the InChIKey of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline?
The InChIKey is MCKFEWCKGOUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N2/c1-15(2)14-29-18(5)23-13-22(9-8-17(23)4)30-19(6)24-25(26(24,7)28)20-10-16(3)11-21(27)12-20/h8-13,24-25,29-30H,1,5-6,14H2,2-4,7H3.
What are the key properties of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline?
N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline has a molecular weight of 441.45 g/mol, XLogP of 7.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline is sourced from PubChem (CID 134441608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).