N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C15H19F4N — CID 104986585

IUPACN-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4N/c1-2-7-20-14(8-10-3-4-10)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9-10,14,20H,2-4,7-8H2,1H3
InChIKeyJUEMWLRLTPDCAV-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.69
Rot. Bonds6

About N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 104986585) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID104986585
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F4N/c1-2-7-20-14(8-10-3-4-10)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9-10,14,20H,2-4,7-8H2,1H3
InChIKeyJUEMWLRLTPDCAV-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
CID 115820026
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288500

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 104986585) is N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(CC1CC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is JUEMWLRLTPDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-2-7-20-14(8-10-3-4-10)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9-10,14,20H,2-4,7-8H2,1H3.
What are the key properties of N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 104986585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).