2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C10H12BrF3N2 — CID 114889509

IUPAC2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1ccc(Br)cc1CN
InChIInChI=1S/C10H12BrF3N2/c1-16(6-10(12,13)14)9-3-2-8(11)4-7(9)5-15/h2-4H,5-6,15H2,1H3
InChIKeyGNKPHOLYEDARQV-UHFFFAOYSA-N
MW297.12 g/mol
LogP2.91
Rot. Bonds3

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

2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 114889509) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID114889509
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1ccc(Br)cc1CN
InChIInChI=1S/C10H12BrF3N2/c1-16(6-10(12,13)14)9-3-2-8(11)4-7(9)5-15/h2-4H,5-6,15H2,1H3
InChIKeyGNKPHOLYEDARQV-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257749
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105413396
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 114889509) is 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline is CN(CC(F)(F)F)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is GNKPHOLYEDARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-16(6-10(12,13)14)9-3-2-8(11)4-7(9)5-15/h2-4H,5-6,15H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 297.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 114889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).