N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine

C17H21FN2 — CID 107113490

IUPACN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1cccc(CN)c1F
InChIInChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)13-16-9-5-8-15(12-19)17(16)18/h2-9H,10-13,19H2,1H3
InChIKeyCBGZVEZOHYMEMA-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.96
Rot. Bonds6

About N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine (PubChem CID 107113490) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
PubChem CID107113490
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1cccc(CN)c1F
InChIInChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)13-16-9-5-8-15(12-19)17(16)18/h2-9H,10-13,19H2,1H3
InChIKeyCBGZVEZOHYMEMA-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine 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-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 107113587
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 54945558
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662
3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65483308
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine (CID 107113490) is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine is CN(CCc1ccccc1)Cc1cccc(CN)c1F.
What is the InChIKey of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine?
The InChIKey is CBGZVEZOHYMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)13-16-9-5-8-15(12-19)17(16)18/h2-9H,10-13,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine?
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine has a molecular weight of 272.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 107113490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).