4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C12H16BrF3N2 — CID 107274847

IUPAC4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccc(CN)c(Br)c1
InChIInChI=1S/C12H16BrF3N2/c1-2-5-18(8-12(14,15)16)10-4-3-9(7-17)11(13)6-10/h3-4,6H,2,5,7-8,17H2,1H3
InChIKeyVKWBPTCUXZSLRQ-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.69
Rot. Bonds5

About 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline

4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 107274847) has the molecular formula C12H16BrF3N2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID107274847
Molecular FormulaC12H16BrF3N2
Molecular Weight325.17 g/mol
Exact Mass324.04
IUPAC Name4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1ccc(CN)c(Br)c1
InChIInChI=1S/C12H16BrF3N2/c1-2-5-18(8-12(14,15)16)10-4-3-9(7-17)11(13)6-10/h3-4,6H,2,5,7-8,17H2,1H3
InChIKeyVKWBPTCUXZSLRQ-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline 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

4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107932858
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 62286362
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
2-fluoro-4-[propyl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 115368172
4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
3-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 82797615
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 107274847) is 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is VKWBPTCUXZSLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2/c1-2-5-18(8-12(14,15)16)10-4-3-9(7-17)11(13)6-10/h3-4,6H,2,5,7-8,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 325.17 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 107274847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).