N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline

C28H29Cl2N — CID 134441610

IUPACN-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline
SMILESC=C(Nc1ccc(C)c(-c2ccc(C)cc2C)c1)C1C(c2ccc(C)c(C)c2)C1(Cl)Cl
InChIInChI=1S/C28H29Cl2N/c1-16-7-12-24(20(5)13-16)25-15-23(11-9-18(25)3)31-21(6)26-27(28(26,29)30)22-10-8-17(2)19(4)14-22/h7-15,26-27,31H,6H2,1-5H3
InChIKeySBIVMPAHFPRDER-UHFFFAOYSA-N
MW450.45 g/mol
LogP8.41
Rot. Bonds5

About N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline

N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline (PubChem CID 134441610) has the molecular formula C28H29Cl2N and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline
PubChem CID134441610
Molecular FormulaC28H29Cl2N
Molecular Weight450.45 g/mol
Exact Mass449.17
IUPAC NameN-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline
SMILESC=C(Nc1ccc(C)c(-c2ccc(C)cc2C)c1)C1C(c2ccc(C)c(C)c2)C1(Cl)Cl
InChIInChI=1S/C28H29Cl2N/c1-16-7-12-24(20(5)13-16)25-15-23(11-9-18(25)3)31-21(6)26-27(28(26,29)30)22-10-8-17(2)19(4)14-22/h7-15,26-27,31H,6H2,1-5H3
InChIKeySBIVMPAHFPRDER-UHFFFAOYSA-N
XLogP8.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-methylphenyl)-N-[1-[2-chloro-3-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methylaniline
CID 138653566
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
CID 138653517
2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 138653422
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-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788
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-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline
CID 138652572
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
2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
CID 4590614
N-[1-[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]ethenyl]-3-[1-(2,4-difluoroanilino)ethenyl]-4-fluoro-5-methylaniline
CID 134441797
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
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline?
The IUPAC name of N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline (CID 134441610) is N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline.
What is the SMILES notation for N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline?
The canonical SMILES for N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline is C=C(Nc1ccc(C)c(-c2ccc(C)cc2C)c1)C1C(c2ccc(C)c(C)c2)C1(Cl)Cl.
What is the InChIKey of N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline?
The InChIKey is SBIVMPAHFPRDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N/c1-16-7-12-24(20(5)13-16)25-15-23(11-9-18(25)3)31-21(6)26-27(28(26,29)30)22-10-8-17(2)19(4)14-22/h7-15,26-27,31H,6H2,1-5H3.
What are the key properties of N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline?
N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline has a molecular weight of 450.45 g/mol, XLogP of 8.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline is sourced from PubChem (CID 134441610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).