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

C16H23FN2 — CID 115366879

IUPAC4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
SMILESCN(CC1CC2CCC1C2)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H23FN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,9-10,18H2,1H3
InChIKeyDLTFYVPOXMEXIW-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.16
Rot. Bonds4

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

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline (PubChem CID 115366879) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
PubChem CID115366879
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
SMILESCN(CC1CC2CCC1C2)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H23FN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,9-10,18H2,1H3
InChIKeyDLTFYVPOXMEXIW-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile
CID 63682489
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713
4-(2-aminopropyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63794333
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 113295421
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 63684150
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline (CID 115366879) is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline is CN(CC1CC2CCC1C2)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline?
The InChIKey is DLTFYVPOXMEXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,9-10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline?
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline has a molecular weight of 262.37 g/mol, XLogP of 3.16, 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-fluoro-N-methylaniline is sourced from PubChem (CID 115366879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).