1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine

C14H19BrF3N — CID 83161775

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H19BrF3N/c1-9(2)4-3-5-13(19)11-7-6-10(15)8-12(11)14(16,17)18/h6-9,13H,3-5,19H2,1-2H3
InChIKeyIAIYDOHOQIFMKY-UHFFFAOYSA-N
MW338.21 g/mol
LogP5.29
Rot. Bonds5

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine

1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine (PubChem CID 83161775) has the molecular formula C14H19BrF3N and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
PubChem CID83161775
Molecular FormulaC14H19BrF3N
Molecular Weight338.21 g/mol
Exact Mass337.07
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
SMILESCC(C)CCCC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H19BrF3N/c1-9(2)4-3-5-13(19)11-7-6-10(15)8-12(11)14(16,17)18/h6-9,13H,3-5,19H2,1-2H3
InChIKeyIAIYDOHOQIFMKY-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.21
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
1-[4-bromo-2-(trifluoromethyl)phenyl]pent-4-yn-1-amine
CID 63642768
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
CID 79574373
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-N-methylbutan-1-amine
CID 112688296
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
CID 171204721

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine (CID 83161775) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine is CC(C)CCCC(N)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine?
The InChIKey is IAIYDOHOQIFMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3N/c1-9(2)4-3-5-13(19)11-7-6-10(15)8-12(11)14(16,17)18/h6-9,13H,3-5,19H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine has a molecular weight of 338.21 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine is sourced from PubChem (CID 83161775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).