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

C18H23FN2 — CID 62985620

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1ccccc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)21(3)13-16-9-5-4-8-15(16)12-20-2/h4-11,14,20H,12-13H2,1-3H3
InChIKeyZXYMSYYQDFFBPM-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds6

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

1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 62985620) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID62985620
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1ccccc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)21(3)13-16-9-5-4-8-15(16)12-20-2/h4-11,14,20H,12-13H2,1-3H3
InChIKeyZXYMSYYQDFFBPM-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

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62984909
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine (CID 62985620) is 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine is CNCc1ccccc1CN(C)C(C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is ZXYMSYYQDFFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(17-10-6-7-11-18(17)19)21(3)13-16-9-5-4-8-15(16)12-20-2/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine?
1-(2-fluorophenyl)-N-methyl-N-[[2-(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-[[2-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62985620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).