2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline

C13H21FN2 — CID 43314003

IUPAC2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-6-5-12(14)7-11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyOEJIFEGMDMYSQV-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.77
Rot. Bonds5

About 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline

2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 43314003) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
PubChem CID43314003
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-6-5-12(14)7-11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyOEJIFEGMDMYSQV-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline 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-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913271
3-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913149
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
3-fluoro-4-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 43657911
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-4-fluoro-N-methyl-N-[(2R)-2-methylbutyl]aniline
CID 95631800

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline (CID 43314003) is 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is OEJIFEGMDMYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-6-5-12(14)7-11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 224.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43314003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).