2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine

C14H20F3N — CID 43495812

IUPAC2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCCCNC(c1c(F)cc(F)cc1F)C(C)CC
InChIInChI=1S/C14H20F3N/c1-4-6-18-14(9(3)5-2)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,4-6H2,1-3H3
InChIKeyJYGUKEJMXMWMOJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.19
Rot. Bonds6

About 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine

2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine (PubChem CID 43495812) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
PubChem CID43495812
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCCCNC(c1c(F)cc(F)cc1F)C(C)CC
InChIInChI=1S/C14H20F3N/c1-4-6-18-14(9(3)5-2)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,4-6H2,1-3H3
InChIKeyJYGUKEJMXMWMOJ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
2-methyl-N-propyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 79445771
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 43495790
2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106878938
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 79616365
1-(2-bromo-3,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 107539437
N-propyl-1-(2,4,6-trifluorophenyl)pent-3-yn-1-amine
CID 115819841
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine (CID 43495812) is 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine is CCCNC(c1c(F)cc(F)cc1F)C(C)CC.
What is the InChIKey of 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The InChIKey is JYGUKEJMXMWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-6-18-14(9(3)5-2)13-11(16)7-10(15)8-12(13)17/h7-9,14,18H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 43495812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).