1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

C13H17BrF3N — CID 63416304

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N/c1-3-7-18-12(4-2)10-6-5-9(14)8-11(10)13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyWFNJIPQVRQOGED-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.92
Rot. Bonds5

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63416304) has the molecular formula C13H17BrF3N and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
PubChem CID63416304
Molecular FormulaC13H17BrF3N
Molecular Weight324.18 g/mol
Exact Mass323.05
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N/c1-3-7-18-12(4-2)10-6-5-9(14)8-11(10)13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyWFNJIPQVRQOGED-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-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-bromo-2-(trifluoromethyl)phenyl]-3-methyl-N-propylbut-3-en-1-amine
CID 79177611
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 66037329
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107893458
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-N-propylbut-2-en-1-amine
CID 79190420
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 114979431
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpent-4-yn-1-amine
CID 63642769
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 107332749

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (CID 63416304) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is WFNJIPQVRQOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N/c1-3-7-18-12(4-2)10-6-5-9(14)8-11(10)13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 324.18 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63416304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).