1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C15H21BrF3N — CID 105024259

IUPAC1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H21BrF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)13(16)10-12/h6-7,10,14,20H,3-5,8-9H2,1-2H3
InChIKeyUDXSOOUMNCEGQC-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.53
Rot. Bonds7

About 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105024259) has the molecular formula C15H21BrF3N and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105024259
Molecular FormulaC15H21BrF3N
Molecular Weight352.24 g/mol
Exact Mass351.08
IUPAC Name1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H21BrF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)13(16)10-12/h6-7,10,14,20H,3-5,8-9H2,1-2H3
InChIKeyUDXSOOUMNCEGQC-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-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

1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
CID 115832612
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105024259) is 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is UDXSOOUMNCEGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)13(16)10-12/h6-7,10,14,20H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 352.24 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105024259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).