1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine

C15H21BrF3N — CID 115832612

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H21BrF3N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,3-6,9H2,1-2H3
InChIKeyPBRJROZBRQANRK-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.70
Rot. Bonds7

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine

1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine (PubChem CID 115832612) has the molecular formula C15H21BrF3N and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
PubChem CID115832612
Molecular FormulaC15H21BrF3N
Molecular Weight352.24 g/mol
Exact Mass351.08
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H21BrF3N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,3-6,9H2,1-2H3
InChIKeyPBRJROZBRQANRK-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylheptan-1-amine
CID 115833562
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropyl-N-ethylpropan-1-amine
CID 104995067
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037417
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine (CID 115832612) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine is CCCCC(NCCC)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine?
The InChIKey is PBRJROZBRQANRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine?
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine has a molecular weight of 352.24 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine is sourced from PubChem (CID 115832612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).