4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine

C14H20F3N — CID 64565776

IUPAC4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C14H20F3N/c1-3-10-18-13(8-9-14(15,16)17)12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyXXZQZXQHKUYLIE-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.38
Rot. Bonds6

About 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine (PubChem CID 64565776) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
PubChem CID64565776
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C14H20F3N/c1-3-10-18-13(8-9-14(15,16)17)12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyXXZQZXQHKUYLIE-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine (CID 64565776) is 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is XXZQZXQHKUYLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-10-18-13(8-9-14(15,16)17)12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 64565776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).