1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C13H17BrF3N — CID 113326940

IUPAC1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3N/c1-2-18-12(4-3-9-13(15,16)17)10-5-7-11(14)8-6-10/h5-8,12,18H,2-4,9H2,1H3
InChIKeyBHXCPQWYLFKSPJ-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.83
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 113326940) has the molecular formula C13H17BrF3N and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID113326940
Molecular FormulaC13H17BrF3N
Molecular Weight324.18 g/mol
Exact Mass323.05
IUPAC Name1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3N/c1-2-18-12(4-3-9-13(15,16)17)10-5-7-11(14)8-6-10/h5-8,12,18H,2-4,9H2,1H3
InChIKeyBHXCPQWYLFKSPJ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-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-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 64565771
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107539337
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 113326940) is 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is BHXCPQWYLFKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N/c1-2-18-12(4-3-9-13(15,16)17)10-5-7-11(14)8-6-10/h5-8,12,18H,2-4,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 324.18 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113326940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).