2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline

C17H21FN2O — CID 43574984

IUPAC2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
SMILESCN(CCCOc1ccccc1N)Cc1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-20(13-14-7-2-3-8-15(14)18)11-6-12-21-17-10-5-4-9-16(17)19/h2-5,7-10H,6,11-13,19H2,1H3
InChIKeyYUHOVNDNNGHGMO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.31
Rot. Bonds7

About 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline

2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline (PubChem CID 43574984) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
PubChem CID43574984
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
SMILESCN(CCCOc1ccccc1N)Cc1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-20(13-14-7-2-3-8-15(14)18)11-6-12-21-17-10-5-4-9-16(17)19/h2-5,7-10H,6,11-13,19H2,1H3
InChIKeyYUHOVNDNNGHGMO-UHFFFAOYSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]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-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine
CID 63902834
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline (CID 43574984) is 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline is CN(CCCOc1ccccc1N)Cc1ccccc1F.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline?
The InChIKey is YUHOVNDNNGHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(13-14-7-2-3-8-15(14)18)11-6-12-21-17-10-5-4-9-16(17)19/h2-5,7-10H,6,11-13,19H2,1H3.
What are the key properties of 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline?
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline has a molecular weight of 288.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline is sourced from PubChem (CID 43574984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).