2-(aminomethyl)-5-fluoro-N,N-dimethylaniline

C9H13FN2 — CID 117110792

IUPAC2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1CN
InChIInChI=1S/C9H13FN2/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3
InChIKeyDWNWFQWGICFXFS-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.35
Rot. Bonds2

About 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline

2-(aminomethyl)-5-fluoro-N,N-dimethylaniline (PubChem CID 117110792) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
PubChem CID117110792
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1CN
InChIInChI=1S/C9H13FN2/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3
InChIKeyDWNWFQWGICFXFS-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 64770089
3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 141161263
2-[2-(dimethylamino)-5-fluorophenyl]ethanol
CID 55266724

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline (CID 117110792) is 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline is CN(C)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline?
The InChIKey is DWNWFQWGICFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline?
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline has a molecular weight of 168.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117110792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).