N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine

C13H21FN2O — CID 64769908

IUPACN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-12-6-13(14)5-4-11(12)7-15/h4-6,10H,7-9,15H2,1-3H3
InChIKeyXFTOARNESPHXEL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.75
Rot. Bonds6

About N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 64769908) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID64769908
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-12-6-13(14)5-4-11(12)7-15/h4-6,10H,7-9,15H2,1-3H3
InChIKeyXFTOARNESPHXEL-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzonitrile
CID 103760660
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454507

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 64769908) is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1cc(F)ccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is XFTOARNESPHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)8-12-6-13(14)5-4-11(12)7-15/h4-6,10H,7-9,15H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 240.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 64769908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).