2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline

C14H14BrFN2 — CID 114889622

IUPAC2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
SMILESCN(c1ccccc1F)c1ccc(Br)cc1CN
InChIInChI=1S/C14H14BrFN2/c1-18(14-5-3-2-4-12(14)16)13-7-6-11(15)8-10(13)9-17/h2-8H,9,17H2,1H3
InChIKeyFTVFZPORSFBWIZ-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.81
Rot. Bonds3

About 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline

2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline (PubChem CID 114889622) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
PubChem CID114889622
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
SMILESCN(c1ccccc1F)c1ccc(Br)cc1CN
InChIInChI=1S/C14H14BrFN2/c1-18(14-5-3-2-4-12(14)16)13-7-6-11(15)8-10(13)9-17/h2-8H,9,17H2,1H3
InChIKeyFTVFZPORSFBWIZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline (CID 114889622) is 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline is CN(c1ccccc1F)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline?
The InChIKey is FTVFZPORSFBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-18(14-5-3-2-4-12(14)16)13-7-6-11(15)8-10(13)9-17/h2-8H,9,17H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline?
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline has a molecular weight of 309.18 g/mol, XLogP of 3.81, 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-(2-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 114889622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).