N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline

C16H15F4N — CID 43095598

IUPACN-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4N/c1-2-15(11-6-8-13(17)9-7-11)21-14-5-3-4-12(10-14)16(18,19)20/h3-10,15,21H,2H2,1H3
InChIKeyUSBUTDQNKUUZAL-UHFFFAOYSA-N
MW297.30 g/mol
LogP5.41
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline

N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline (PubChem CID 43095598) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
PubChem CID43095598
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4N/c1-2-15(11-6-8-13(17)9-7-11)21-14-5-3-4-12(10-14)16(18,19)20/h3-10,15,21H,2H2,1H3
InChIKeyUSBUTDQNKUUZAL-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
N-[3-[1-(4-fluorophenyl)propylamino]phenyl]-2-hydroxyacetamide
CID 56794102
N-[(R)-dimethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 2067070
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-[1-(4-fluorophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43196975
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline (CID 43095598) is N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline is CCC(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline?
The InChIKey is USBUTDQNKUUZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-15(11-6-8-13(17)9-7-11)21-14-5-3-4-12(10-14)16(18,19)20/h3-10,15,21H,2H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline?
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline has a molecular weight of 297.30 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).