4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline

C16H22BrFN2 — CID 107532386

IUPAC4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
SMILESCN(CC1CC2CCC1C2)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C16H22BrFN2/c1-20(9-13-7-10-2-3-11(13)6-10)14-5-4-12(8-19)15(17)16(14)18/h4-5,10-11,13H,2-3,6-9,19H2,1H3
InChIKeyMBCUIMMLZBEZNS-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.92
Rot. Bonds4

About 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline (PubChem CID 107532386) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
PubChem CID107532386
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
SMILESCN(CC1CC2CCC1C2)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C16H22BrFN2/c1-20(9-13-7-10-2-3-11(13)6-10)14-5-4-12(8-19)15(17)16(14)18/h4-5,10-11,13H,2-3,6-9,19H2,1H3
InChIKeyMBCUIMMLZBEZNS-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933828
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
CID 63683349
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline (CID 107532386) is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline is CN(CC1CC2CCC1C2)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline?
The InChIKey is MBCUIMMLZBEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c1-20(9-13-7-10-2-3-11(13)6-10)14-5-4-12(8-19)15(17)16(14)18/h4-5,10-11,13H,2-3,6-9,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline?
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline has a molecular weight of 341.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline is sourced from PubChem (CID 107532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).