N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline

C15H13ClF3N — CID 63476825

IUPACN-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
SMILESCCC(Nc1cc(F)c(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3N/c1-2-14(9-3-5-10(16)6-4-9)20-15-8-12(18)11(17)7-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyGQJCVWCNFWNKGB-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.32
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline

N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline (PubChem CID 63476825) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
PubChem CID63476825
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
SMILESCCC(Nc1cc(F)c(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3N/c1-2-14(9-3-5-10(16)6-4-9)20-15-8-12(18)11(17)7-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyGQJCVWCNFWNKGB-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
N-[1-(4-chlorophenyl)propyl]-2-iodoaniline
CID 43124768
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline (CID 63476825) is N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline is CCC(Nc1cc(F)c(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline?
The InChIKey is GQJCVWCNFWNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-2-14(9-3-5-10(16)6-4-9)20-15-8-12(18)11(17)7-13(15)19/h3-8,14,20H,2H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline?
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline has a molecular weight of 299.72 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline is sourced from PubChem (CID 63476825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).