4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline

C16H17ClFNO — CID 43786118

IUPAC4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)c(F)c1)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-15(12-6-4-5-7-16(12)20-2)19-11-8-9-13(17)14(18)10-11/h4-10,15,19H,3H2,1-2H3
InChIKeyCCGVZVVEKTVXNM-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline

4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline (PubChem CID 43786118) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
PubChem CID43786118
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)c(F)c1)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-15(12-6-4-5-7-16(12)20-2)19-11-8-9-13(17)14(18)10-11/h4-10,15,19H,3H2,1-2H3
InChIKeyCCGVZVVEKTVXNM-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773726
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
methyl 2-(4-chloro-3-fluoroanilino)butanoate
CID 115352754
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The IUPAC name of 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline (CID 43786118) is 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline is CCC(Nc1ccc(Cl)c(F)c1)c1ccccc1OC.
What is the InChIKey of 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The InChIKey is CCGVZVVEKTVXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-15(12-6-4-5-7-16(12)20-2)19-11-8-9-13(17)14(18)10-11/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline has a molecular weight of 293.77 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43786118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).