N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine

C15H19BrF3N — CID 104986363

IUPACN-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H19BrF3N/c1-2-7-20-14(8-10-3-4-10)12-9-11(15(17,18)19)5-6-13(12)16/h5-6,9-10,14,20H,2-4,7-8H2,1H3
InChIKeyMRIFDEHATURQAR-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.31
Rot. Bonds6

About N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine

N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine (PubChem CID 104986363) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
PubChem CID104986363
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC NameN-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H19BrF3N/c1-2-7-20-14(8-10-3-4-10)12-9-11(15(17,18)19)5-6-13(12)16/h5-6,9-10,14,20H,2-4,7-8H2,1H3
InChIKeyMRIFDEHATURQAR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 114979431
[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
CID 105310132
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylhex-4-yn-1-amine
CID 105037197
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 115832928
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
CID 105028352

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine (CID 104986363) is N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine?
The InChIKey is MRIFDEHATURQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-2-7-20-14(8-10-3-4-10)12-9-11(15(17,18)19)5-6-13(12)16/h5-6,9-10,14,20H,2-4,7-8H2,1H3.
What are the key properties of N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine?
N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine has a molecular weight of 350.22 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 104986363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).