N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline

C26H25Cl3N2 — CID 138653517

IUPACN-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
SMILESC=C(Nc1ccc(C)c(-c2cccc(NC)c2)c1)C1C(c2cc(C)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C26H25Cl3N2/c1-15-10-19(12-20(27)11-15)25-24(26(25,28)29)17(3)31-22-9-8-16(2)23(14-22)18-6-5-7-21(13-18)30-4/h5-14,24-25,30-31H,3H2,1-2,4H3
InChIKeyXVDJWBULDDMPNT-UHFFFAOYSA-N
MW471.86 g/mol
LogP8.18
Rot. Bonds6

About N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline

N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline (PubChem CID 138653517) has the molecular formula C26H25Cl3N2 and a molecular weight of 471.86 g/mol. Its IUPAC name is N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline.

Molecular Properties

Compound NameN-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
PubChem CID138653517
Molecular FormulaC26H25Cl3N2
Molecular Weight471.86 g/mol
Exact Mass470.11
IUPAC NameN-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
SMILESC=C(Nc1ccc(C)c(-c2cccc(NC)c2)c1)C1C(c2cc(C)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C26H25Cl3N2/c1-15-10-19(12-20(27)11-15)25-24(26(25,28)29)17(3)31-22-9-8-16(2)23(14-22)18-6-5-7-21(13-18)30-4/h5-14,24-25,30-31H,3H2,1-2,4H3
InChIKeyXVDJWBULDDMPNT-UHFFFAOYSA-N
XLogP8.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
CID 134441588
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-3-[4-(3-fluoro-3-methylbutyl)phenyl]aniline
CID 138653468
N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline
CID 134441610
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788
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-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline
CID 134441608
4-[2-chloro-5-[1-[2-chloro-3-(3,5-dimethylphenyl)-2-methylcyclopropyl]ethenylamino]phenyl]-2-fluoro-N-methylaniline
CID 138653564
N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline
CID 138652572
N-[1-[2-chloro-3-(3,5-dimethylphenyl)-2-methylcyclopropyl]ethenyl]-3-ethenylaniline
CID 138652957
4-[1-[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]ethenylamino]-2-[1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)amino]ethenyl]phenol
CID 138653535
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide
CID 138653684
1-N-[1-[3-(3-amino-5-methylphenyl)-2,2-dichlorocyclopropyl]ethenyl]-4-chloro-3-N-[1-(4-ethylphenyl)ethenyl]benzene-1,3-diamine;ethane
CID 165144588

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline?
The IUPAC name of N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline (CID 138653517) is N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline.
What is the SMILES notation for N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline?
The canonical SMILES for N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline is C=C(Nc1ccc(C)c(-c2cccc(NC)c2)c1)C1C(c2cc(C)cc(Cl)c2)C1(Cl)Cl.
What is the InChIKey of N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline?
The InChIKey is XVDJWBULDDMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N2/c1-15-10-19(12-20(27)11-15)25-24(26(25,28)29)17(3)31-22-9-8-16(2)23(14-22)18-6-5-7-21(13-18)30-4/h5-14,24-25,30-31H,3H2,1-2,4H3.
What are the key properties of N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline?
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline has a molecular weight of 471.86 g/mol, XLogP of 8.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline is sourced from PubChem (CID 138653517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).