2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline

C16H17ClFN — CID 43122613

IUPAC2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-3-15(12-5-7-13(18)8-6-12)19-16-9-4-11(2)10-14(16)17/h4-10,15,19H,3H2,1-2H3
InChIKeyLLONBFIANUHSGM-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.35
Rot. Bonds4

About 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline

2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline (PubChem CID 43122613) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
PubChem CID43122613
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-3-15(12-5-7-13(18)8-6-12)19-16-9-4-11(2)10-14(16)17/h4-10,15,19H,3H2,1-2H3
InChIKeyLLONBFIANUHSGM-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline 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

N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline (CID 43122613) is 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The InChIKey is LLONBFIANUHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-15(12-5-7-13(18)8-6-12)19-16-9-4-11(2)10-14(16)17/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline has a molecular weight of 277.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 43122613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).