4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline

C11H13BrF4N2 — CID 107532417

IUPAC4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCN(CCC(F)(F)F)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C11H13BrF4N2/c1-18(5-4-11(14,15)16)8-3-2-7(6-17)9(12)10(8)13/h2-3H,4-6,17H2,1H3
InChIKeyXDDYAHNHCPSTHB-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.44
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline

4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 107532417) has the molecular formula C11H13BrF4N2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID107532417
Molecular FormulaC11H13BrF4N2
Molecular Weight329.14 g/mol
Exact Mass328.02
IUPAC Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCN(CCC(F)(F)F)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C11H13BrF4N2/c1-18(5-4-11(14,15)16)8-3-2-7(6-17)9(12)10(8)13/h2-3H,4-6,17H2,1H3
InChIKeyXDDYAHNHCPSTHB-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(aminomethyl)-3-bromo-2-fluoro-N-methylanilino]pentan-1-ol
CID 107532538
2-bromo-3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 107536524
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 107532166
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
3-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarbothioamide
CID 82804762
3-[4-(aminomethyl)-3-bromo-N-ethyl-2-fluoroanilino]propan-1-ol
CID 107532489
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 80509001
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline (CID 107532417) is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline is CN(CCC(F)(F)F)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is XDDYAHNHCPSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF4N2/c1-18(5-4-11(14,15)16)8-3-2-7(6-17)9(12)10(8)13/h2-3H,4-6,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 329.14 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 107532417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).