1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine

C16H23F4N — CID 107291848

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)CCC
InChIInChI=1S/C16H23F4N/c1-4-6-11(3)15(21-9-5-2)12-7-8-14(17)13(10-12)16(18,19)20/h7-8,10-11,15,21H,4-6,9H2,1-3H3
InChIKeyMIDWESVITFIMTO-UHFFFAOYSA-N
MW305.36 g/mol
LogP5.32
Rot. Bonds7

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine (PubChem CID 107291848) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
PubChem CID107291848
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)CCC
InChIInChI=1S/C16H23F4N/c1-4-6-11(3)15(21-9-5-2)12-7-8-14(17)13(10-12)16(18,19)20/h7-8,10-11,15,21H,4-6,9H2,1-3H3
InChIKeyMIDWESVITFIMTO-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107893458
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
CID 115820026

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine (CID 107291848) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)CCC.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine?
The InChIKey is MIDWESVITFIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-4-6-11(3)15(21-9-5-2)12-7-8-14(17)13(10-12)16(18,19)20/h7-8,10-11,15,21H,4-6,9H2,1-3H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine has a molecular weight of 305.36 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 107291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).