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N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline

C21H23Cl2N — CID 134441588

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
SMILESC=C(Nc1ccc(C)c(C)c1)C1C(c2cc(C)cc(Cl)c2)C1(C)Cl
InChIInChI=1S/C21H23Cl2N/c1-12-8-16(11-17(22)9-12)20-19(21(20,5)23)15(4)24-18-7-6-13(2)14(3)10-18/h6-11,19-20,24H,4H2,1-3,5H3
InChIKeyWOCOJZJKHDDRAC-UHFFFAOYSA-N
MW360.33 g/mol
LogP6.60
Rot. Bonds4

About N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline

N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline (PubChem CID 134441588) has the molecular formula C21H23Cl2N and a molecular weight of 360.33 g/mol. Its IUPAC name is N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
PubChem CID134441588
Molecular FormulaC21H23Cl2N
Molecular Weight360.33 g/mol
Exact Mass359.12
IUPAC NameN-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
SMILESC=C(Nc1ccc(C)c(C)c1)C1C(c2cc(C)cc(Cl)c2)C1(C)Cl
InChIInChI=1S/C21H23Cl2N/c1-12-8-16(11-17(22)9-12)20-19(21(20,5)23)15(4)24-18-7-6-13(2)14(3)10-18/h6-11,19-20,24H,4H2,1-3,5H3
InChIKeyWOCOJZJKHDDRAC-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline?
The IUPAC name of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline (CID 134441588) is N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline?
The canonical SMILES for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline is C=C(Nc1ccc(C)c(C)c1)C1C(c2cc(C)cc(Cl)c2)C1(C)Cl.
What is the InChIKey of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline?
The InChIKey is WOCOJZJKHDDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N/c1-12-8-16(11-17(22)9-12)20-19(21(20,5)23)15(4)24-18-7-6-13(2)14(3)10-18/h6-11,19-20,24H,4H2,1-3,5H3.
What are the key properties of N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline?
N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline has a molecular weight of 360.33 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline is sourced from PubChem (CID 134441588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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