1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine

C16H24F3N — CID 64565792

IUPAC1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H24F3N/c1-4-9-20-15(7-8-16(17,18)19)11-14-6-5-12(2)13(3)10-14/h5-6,10,15,20H,4,7-9,11H2,1-3H3
InChIKeyVNMKZGSRFXSBBN-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.56
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 64565792) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID64565792
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H24F3N/c1-4-9-20-15(7-8-16(17,18)19)11-14-6-5-12(2)13(3)10-14/h5-6,10,15,20H,4,7-9,11H2,1-3H3
InChIKeyVNMKZGSRFXSBBN-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 64565792) is 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is VNMKZGSRFXSBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-9-20-15(7-8-16(17,18)19)11-14-6-5-12(2)13(3)10-14/h5-6,10,15,20H,4,7-9,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 64565792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).