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

C16H16Cl3N — CID 43503285

IUPAC3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N/c1-3-16(13-7-5-11(17)8-15(13)19)20-12-6-4-10(2)14(18)9-12/h4-9,16,20H,3H2,1-2H3
InChIKeyNPIIJGKDLUBFDR-UHFFFAOYSA-N
MW328.67 g/mol
LogP6.52
Rot. Bonds4

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

3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline (PubChem CID 43503285) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
PubChem CID43503285
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N/c1-3-16(13-7-5-11(17)8-15(13)19)20-12-6-4-10(2)14(18)9-12/h4-9,16,20H,3H2,1-2H3
InChIKeyNPIIJGKDLUBFDR-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline (CID 43503285) is 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline?
The InChIKey is NPIIJGKDLUBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-3-16(13-7-5-11(17)8-15(13)19)20-12-6-4-10(2)14(18)9-12/h4-9,16,20H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline?
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline has a molecular weight of 328.67 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 43503285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).