3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline

C13H21FN2 — CID 102813482

IUPAC3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2/c1-4-5-10(2)16(3)13-7-11(9-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyXHTUBERRJRJCKY-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.91
Rot. Bonds5

About 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline

3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline (PubChem CID 102813482) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
PubChem CID102813482
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2/c1-4-5-10(2)16(3)13-7-11(9-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyXHTUBERRJRJCKY-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62286857

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline (CID 102813482) is 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline?
The InChIKey is XHTUBERRJRJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-5-10(2)16(3)13-7-11(9-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline?
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline has a molecular weight of 224.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline is sourced from PubChem (CID 102813482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).