6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine

C16H24F3N — CID 115516541

IUPAC6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1cccc(C)c1
InChIInChI=1S/C16H24F3N/c1-3-10-20-15(8-5-9-16(17,18)19)12-14-7-4-6-13(2)11-14/h4,6-7,11,15,20H,3,5,8-10,12H2,1-2H3
InChIKeyLNBOPUPEZUBJMU-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.64
Rot. Bonds8

About 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine

6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine (PubChem CID 115516541) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
PubChem CID115516541
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1cccc(C)c1
InChIInChI=1S/C16H24F3N/c1-3-10-20-15(8-5-9-16(17,18)19)12-14-7-4-6-13(2)11-14/h4,6-7,11,15,20H,3,5,8-10,12H2,1-2H3
InChIKeyLNBOPUPEZUBJMU-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
CID 113326992
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine (CID 115516541) is 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)Cc1cccc(C)c1.
What is the InChIKey of 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine?
The InChIKey is LNBOPUPEZUBJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-10-20-15(8-5-9-16(17,18)19)12-14-7-4-6-13(2)11-14/h4,6-7,11,15,20H,3,5,8-10,12H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine?
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine is sourced from PubChem (CID 115516541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).