1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine

C18H23FN2 — CID 62985100

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1cccc(CN(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C18H23FN2/c1-14(17-9-4-5-10-18(17)19)21(3)13-16-8-6-7-15(11-16)12-20-2/h4-11,14,20H,12-13H2,1-3H3
InChIKeyHKSIGUZTDBNIQP-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine

1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 62985100) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID62985100
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1cccc(CN(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C18H23FN2/c1-14(17-9-4-5-10-18(17)19)21(3)13-16-8-6-7-15(11-16)12-20-2/h4-11,14,20H,12-13H2,1-3H3
InChIKeyHKSIGUZTDBNIQP-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine 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

1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
4-[[[(1R)-1-(2-fluorophenyl)ethyl]-methylamino]methyl]-1-methylpyridin-2-one
CID 94417275
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine (CID 62985100) is 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine is CNCc1cccc(CN(C)C(C)c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is HKSIGUZTDBNIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(17-9-4-5-10-18(17)19)21(3)13-16-8-6-7-15(11-16)12-20-2/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine has a molecular weight of 286.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62985100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).