3-fluoro-4-[[methyl(propyl)amino]methyl]aniline

C11H17FN2 — CID 64768064

IUPAC3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1ccc(N)cc1F
InChIInChI=1S/C11H17FN2/c1-3-6-14(2)8-9-4-5-10(13)7-11(9)12/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyQFKNBBLBYJFJCK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline

3-fluoro-4-[[methyl(propyl)amino]methyl]aniline (PubChem CID 64768064) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
PubChem CID64768064
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1ccc(N)cc1F
InChIInChI=1S/C11H17FN2/c1-3-6-14(2)8-9-4-5-10(13)7-11(9)12/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyQFKNBBLBYJFJCK-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-[[methyl(propyl)amino]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

3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059577
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
4-[[butan-2-yl(methyl)amino]methyl]-3-fluoroaniline
CID 64768257
3-fluoro-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 64768655
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
3-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 64769432
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-(2,2-dimethylpropyl)-3-fluoroaniline
CID 121316201

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline?
The IUPAC name of 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline (CID 64768064) is 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline?
The canonical SMILES for 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline is CCCN(C)Cc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline?
The InChIKey is QFKNBBLBYJFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-6-14(2)8-9-4-5-10(13)7-11(9)12/h4-5,7H,3,6,8,13H2,1-2H3.
What are the key properties of 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline?
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline has a molecular weight of 196.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[methyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 64768064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).