3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline

C12H19FN2 — CID 107347223

IUPAC3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
SMILESCCC(C)N(C)Cc1cccc(N)c1F
InChIInChI=1S/C12H19FN2/c1-4-9(2)15(3)8-10-6-5-7-11(14)12(10)13/h5-7,9H,4,8,14H2,1-3H3
InChIKeyGHYVALUTUZSMNX-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.64
Rot. Bonds4

About 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline

3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline (PubChem CID 107347223) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
PubChem CID107347223
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
SMILESCCC(C)N(C)Cc1cccc(N)c1F
InChIInChI=1S/C12H19FN2/c1-4-9(2)15(3)8-10-6-5-7-11(14)12(10)13/h5-7,9H,4,8,14H2,1-3H3
InChIKeyGHYVALUTUZSMNX-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline 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-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
CID 107347221
3-[[butan-2-yl(methyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117756
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308
3-bromo-2-[[butan-2-yl(methyl)amino]methyl]aniline
CID 43272505
4-[[butan-2-yl(methyl)amino]methyl]-3-fluoroaniline
CID 64768257
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121
3-[(2,3-difluorophenyl)methyl-methylamino]butanethioamide
CID 55176274
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 102848138
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213

Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline?
The IUPAC name of 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline (CID 107347223) is 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline?
The canonical SMILES for 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline is CCC(C)N(C)Cc1cccc(N)c1F.
What is the InChIKey of 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline?
The InChIKey is GHYVALUTUZSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-9(2)15(3)8-10-6-5-7-11(14)12(10)13/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline?
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline has a molecular weight of 210.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline is sourced from PubChem (CID 107347223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).