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

C15H22F3N — CID 61392639

IUPAC1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)CC(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-5-19-14(10-15(16,17)18)9-13-7-11(2)6-12(3)8-13/h6-8,14,19H,4-5,9-10H2,1-3H3
InChIKeyOMHCKNJLVYOHQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.17
Rot. Bonds6

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

1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 61392639) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID61392639
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)CC(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-5-19-14(10-15(16,17)18)9-13-7-11(2)6-12(3)8-13/h6-8,14,19H,4-5,9-10H2,1-3H3
InChIKeyOMHCKNJLVYOHQP-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
1-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63526917
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (CID 61392639) is 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(Cc1cc(C)cc(C)c1)CC(F)(F)F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is OMHCKNJLVYOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-5-19-14(10-15(16,17)18)9-13-7-11(2)6-12(3)8-13/h6-8,14,19H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 61392639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).