N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline

C24H23Cl2N — CID 59121257

IUPACN-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
SMILESC=C(Nc1ccccc1C)c1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2N/c1-17-6-3-4-9-24(17)27-18(2)21-13-10-19(11-14-21)7-5-8-20-12-15-22(25)23(26)16-20/h3-4,6,9-16,27H,2,5,7-8H2,1H3
InChIKeyLTMLZNAMDOBCSK-UHFFFAOYSA-N
MW396.36 g/mol
LogP7.56
Rot. Bonds7

About N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline

N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline (PubChem CID 59121257) has the molecular formula C24H23Cl2N and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
PubChem CID59121257
Molecular FormulaC24H23Cl2N
Molecular Weight396.36 g/mol
Exact Mass395.12
IUPAC NameN-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
SMILESC=C(Nc1ccccc1C)c1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2N/c1-17-6-3-4-9-24(17)27-18(2)21-13-10-19(11-14-21)7-5-8-20-12-15-22(25)23(26)16-20/h3-4,6,9-16,27H,2,5,7-8H2,1H3
InChIKeyLTMLZNAMDOBCSK-UHFFFAOYSA-N
XLogP7.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline?
The IUPAC name of N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline (CID 59121257) is N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline.
What is the SMILES notation for N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline?
The canonical SMILES for N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline is C=C(Nc1ccccc1C)c1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline?
The InChIKey is LTMLZNAMDOBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N/c1-17-6-3-4-9-24(17)27-18(2)21-13-10-19(11-14-21)7-5-8-20-12-15-22(25)23(26)16-20/h3-4,6,9-16,27H,2,5,7-8H2,1H3.
What are the key properties of N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline?
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline has a molecular weight of 396.36 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline is sourced from PubChem (CID 59121257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).