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

C16H16Cl3NO — CID 43758094

IUPAC3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-3-15(10-4-6-12(17)13(18)8-10)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3
InChIKeyOVRSAOZOEDHOFW-UHFFFAOYSA-N
MW344.67 g/mol
LogP6.22
Rot. Bonds5

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

3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline (PubChem CID 43758094) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
PubChem CID43758094
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-3-15(10-4-6-12(17)13(18)8-10)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3
InChIKeyOVRSAOZOEDHOFW-UHFFFAOYSA-N
XLogP6.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
4-[1-(3,4-dichlorophenyl)propylamino]benzonitrile
CID 43763746
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
1-(3-chloro-4-methoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)propyl]thiourea
CID 133216608
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline (CID 43758094) is 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline is CCC(Nc1ccc(OC)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline?
The InChIKey is OVRSAOZOEDHOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-3-15(10-4-6-12(17)13(18)8-10)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline?
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline has a molecular weight of 344.67 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline is sourced from PubChem (CID 43758094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).