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

C11H17FN2 — CID 107347221

IUPAC2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1cccc(N)c1F
InChIInChI=1S/C11H17FN2/c1-3-7-14(2)8-9-5-4-6-10(13)11(9)12/h4-6H,3,7-8,13H2,1-2H3
InChIKeySRHLQCUBXKQNGM-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.25
Rot. Bonds4

About 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline

2-fluoro-3-[[methyl(propyl)amino]methyl]aniline (PubChem CID 107347221) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
PubChem CID107347221
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
SMILESCCCN(C)Cc1cccc(N)c1F
InChIInChI=1S/C11H17FN2/c1-3-7-14(2)8-9-5-4-6-10(13)11(9)12/h4-6H,3,7-8,13H2,1-2H3
InChIKeySRHLQCUBXKQNGM-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 2-fluoro-3-[[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-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
CID 107347223
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
CID 43509178
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
N-[(3-amino-2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107347272

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline (CID 107347221) is 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline is CCCN(C)Cc1cccc(N)c1F.
What is the InChIKey of 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline?
The InChIKey is SRHLQCUBXKQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-7-14(2)8-9-5-4-6-10(13)11(9)12/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline?
2-fluoro-3-[[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 2-fluoro-3-[[methyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 107347221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).