1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C14H22N2O3 — CID 116959584

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)C1(CN)COC1
InChIInChI=1S/C14H22N2O3/c1-16-13(14(7-15)8-19-9-14)11-5-4-10(17-2)6-12(11)18-3/h4-6,13,16H,7-9,15H2,1-3H3
InChIKeyOFILMGHGWPCOII-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.94
Rot. Bonds6

About 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 116959584) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID116959584
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)C1(CN)COC1
InChIInChI=1S/C14H22N2O3/c1-16-13(14(7-15)8-19-9-14)11-5-4-10(17-2)6-12(11)18-3/h4-6,13,16H,7-9,15H2,1-3H3
InChIKeyOFILMGHGWPCOII-UHFFFAOYSA-N
XLogP0.94
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958008
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 116959584) is 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1OC)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is OFILMGHGWPCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-13(14(7-15)8-19-9-14)11-5-4-10(17-2)6-12(11)18-3/h4-6,13,16H,7-9,15H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 266.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116959584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).