1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine

C15H21BrF3N — CID 105028352

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H21BrF3N/c1-4-10(5-2)8-14(20-3)12-9-11(15(17,18)19)6-7-13(12)16/h6-7,9-10,14,20H,4-5,8H2,1-3H3
InChIKeyBUMMAJOOBXIOFY-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.55
Rot. Bonds6

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine

1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine (PubChem CID 105028352) has the molecular formula C15H21BrF3N and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
PubChem CID105028352
Molecular FormulaC15H21BrF3N
Molecular Weight352.24 g/mol
Exact Mass351.08
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H21BrF3N/c1-4-10(5-2)8-14(20-3)12-9-11(15(17,18)19)6-7-13(12)16/h6-7,9-10,14,20H,4-5,8H2,1-3H3
InChIKeyBUMMAJOOBXIOFY-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 115832928
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006106
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 114979431
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethyl-3-methylpentan-1-amine
CID 115846100
2-(3-bromothiophen-2-yl)-1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115849141
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylpent-3-yn-1-amine
CID 115819252
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylprop-2-yn-1-amine
CID 104995389
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037112
N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
CID 104986363
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylhex-4-yn-1-amine
CID 105037197

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine (CID 105028352) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine is CCC(CC)CC(NC)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine?
The InChIKey is BUMMAJOOBXIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3N/c1-4-10(5-2)8-14(20-3)12-9-11(15(17,18)19)6-7-13(12)16/h6-7,9-10,14,20H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine?
1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine has a molecular weight of 352.24 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-3-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 105028352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).