N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine

C15H22F3N — CID 115845337

IUPACN,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCC(C)CC(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-7-11(2)10-14(19-3)12-8-5-6-9-13(12)15(16,17)18/h5-6,8-9,11,14,19H,4,7,10H2,1-3H3
InChIKeyWVPPFHFBLPGRMU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.79
Rot. Bonds6

About N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine

N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine (PubChem CID 115845337) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
PubChem CID115845337
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCC(C)CC(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-7-11(2)10-14(19-3)12-8-5-6-9-13(12)15(16,17)18/h5-6,8-9,11,14,19H,4,7,10H2,1-3H3
InChIKeyWVPPFHFBLPGRMU-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
[2-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105304834
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
1-(1-azidobutyl)-2-(trifluoromethyl)benzene
CID 91482298
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine?
The IUPAC name of N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine (CID 115845337) is N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine?
The canonical SMILES for N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine is CCCC(C)CC(NC)c1ccccc1C(F)(F)F.
What is the InChIKey of N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine?
The InChIKey is WVPPFHFBLPGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-7-11(2)10-14(19-3)12-8-5-6-9-13(12)15(16,17)18/h5-6,8-9,11,14,19H,4,7,10H2,1-3H3.
What are the key properties of N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine?
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine is sourced from PubChem (CID 115845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).