2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline

C11H17FN2 — CID 82505630

IUPAC2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1c(F)cccc1CN
InChIInChI=1S/C11H17FN2/c1-8(2)14(3)11-9(7-13)5-4-6-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyJIYQIKZBYZQLJF-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.13
Rot. Bonds3

About 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline

2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline (PubChem CID 82505630) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
PubChem CID82505630
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1c(F)cccc1CN
InChIInChI=1S/C11H17FN2/c1-8(2)14(3)11-9(7-13)5-4-6-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyJIYQIKZBYZQLJF-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 114070065
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
CID 84654036
(2,3-difluorophenyl)methanamine
CID 2736941
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 82508306
(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
CID 82505256
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline (CID 82505630) is 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline is CC(C)N(C)c1c(F)cccc1CN.
What is the InChIKey of 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline?
The InChIKey is JIYQIKZBYZQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(2)14(3)11-9(7-13)5-4-6-10(11)12/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline?
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline has a molecular weight of 196.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 82505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).