5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine

C14H20F3N — CID 112509136

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCC(C)CC(CCN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12H,6-8,18H2,1-2H3
InChIKeyDAHUSXMSWRHPEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.18
Rot. Bonds5

About 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine

5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine (PubChem CID 112509136) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
PubChem CID112509136
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCC(C)CC(CCN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12H,6-8,18H2,1-2H3
InChIKeyDAHUSXMSWRHPEP-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
CID 112509157
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine (CID 112509136) is 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine is CC(C)CC(CCN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine?
The InChIKey is DAHUSXMSWRHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12H,6-8,18H2,1-2H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine?
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine is sourced from PubChem (CID 112509136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).