1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C14H18Br2F3N — CID 105024009

IUPAC1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2F3N/c1-2-8-20-13(4-3-7-14(17,18)19)11-9-10(15)5-6-12(11)16/h5-6,9,13,20H,2-4,7-8H2,1H3
InChIKeyBTFCPMUKCTZRJV-UHFFFAOYSA-N
MW417.11 g/mol
LogP5.98
Rot. Bonds7

About 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105024009) has the molecular formula C14H18Br2F3N and a molecular weight of 417.11 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105024009
Molecular FormulaC14H18Br2F3N
Molecular Weight417.11 g/mol
Exact Mass414.98
IUPAC Name1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2F3N/c1-2-8-20-13(4-3-7-14(17,18)19)11-9-10(15)5-6-12(11)16/h5-6,9,13,20H,2-4,7-8H2,1H3
InChIKeyBTFCPMUKCTZRJV-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.11
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dibromophenyl)-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-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(2,5-dibromophenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865316
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024003
1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106858377
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
1-(2,5-dibromophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003992
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105024009) is 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is BTFCPMUKCTZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2F3N/c1-2-8-20-13(4-3-7-14(17,18)19)11-9-10(15)5-6-12(11)16/h5-6,9,13,20H,2-4,7-8H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 417.11 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105024009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).