2-[4-(trifluoromethoxy)phenyl]hexan-3-amine

C13H18F3NO — CID 83048255

IUPAC2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-4-12(17)9(2)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12H,3-4,17H2,1-2H3
InChIKeyCTVGOXLVCLNMLX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.82
Rot. Bonds5

About 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine

2-[4-(trifluoromethoxy)phenyl]hexan-3-amine (PubChem CID 83048255) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
PubChem CID83048255
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-4-12(17)9(2)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12H,3-4,17H2,1-2H3
InChIKeyCTVGOXLVCLNMLX-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine (CID 83048255) is 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine is CCCC(N)C(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine?
The InChIKey is CTVGOXLVCLNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-4-12(17)9(2)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12H,3-4,17H2,1-2H3.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine?
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine has a molecular weight of 261.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]hexan-3-amine is sourced from PubChem (CID 83048255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).