2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline

C14H23FN2 — CID 83143874

IUPAC2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
SMILESCC(CNCc1cccc(F)c1N)C(C)(C)C
InChIInChI=1S/C14H23FN2/c1-10(14(2,3)4)8-17-9-11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyGFXWMRUHWBQBBD-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.18
Rot. Bonds4

About 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline

2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline (PubChem CID 83143874) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
PubChem CID83143874
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
SMILESCC(CNCc1cccc(F)c1N)C(C)(C)C
InChIInChI=1S/C14H23FN2/c1-10(14(2,3)4)8-17-9-11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyGFXWMRUHWBQBBD-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]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

N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
CID 114125884
2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 104546986
4-fluoro-2-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 107904704
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
N-[[4-(2-aminoethyl)phenyl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143292
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
1-N-(3,3-dimethylbutan-2-yl)-3-fluorobenzene-1,2-diamine
CID 104827436
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline?
The IUPAC name of 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline (CID 83143874) is 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline is CC(CNCc1cccc(F)c1N)C(C)(C)C.
What is the InChIKey of 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline?
The InChIKey is GFXWMRUHWBQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(14(2,3)4)8-17-9-11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9,16H2,1-4H3.
What are the key properties of 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline?
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline has a molecular weight of 238.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline is sourced from PubChem (CID 83143874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).