N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline

C16H16Cl2FNO — CID 43503453

IUPACN-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-15(12-6-4-10(17)8-13(12)18)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3
InChIKeyZFYAQDCJBDZJCD-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.70
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline

N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline (PubChem CID 43503453) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
PubChem CID43503453
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-15(12-6-4-10(17)8-13(12)18)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3
InChIKeyZFYAQDCJBDZJCD-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.70
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-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
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
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline (CID 43503453) is N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline is CCC(Nc1ccc(OC)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline?
The InChIKey is ZFYAQDCJBDZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-3-15(12-6-4-10(17)8-13(12)18)20-11-5-7-16(21-2)14(19)9-11/h4-9,15,20H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline?
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline has a molecular weight of 328.21 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 43503453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).