1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C13H19FN2O2 — CID 116959571

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)C1(CN)COC1
InChIInChI=1S/C13H19FN2O2/c1-16-12(13(6-15)7-18-8-13)9-3-4-11(17-2)10(14)5-9/h3-5,12,16H,6-8,15H2,1-2H3
InChIKeyJQPJCBOMGSQGRZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.07
Rot. Bonds5

About 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 116959571) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID116959571
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)C1(CN)COC1
InChIInChI=1S/C13H19FN2O2/c1-16-12(13(6-15)7-18-8-13)9-3-4-11(17-2)10(14)5-9/h3-5,12,16H,6-8,15H2,1-2H3
InChIKeyJQPJCBOMGSQGRZ-UHFFFAOYSA-N
XLogP1.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
CID 116959619
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 116959571) is 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JQPJCBOMGSQGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16-12(13(6-15)7-18-8-13)9-3-4-11(17-2)10(14)5-9/h3-5,12,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116959571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).