1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine

C14H22N2O — CID 116950761

IUPAC1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-4-17-13-6-5-11(7-10(13)2)14(15-3)12-8-16-9-12/h5-7,12,14-16H,4,8-9H2,1-3H3
InChIKeyOWPRMTIQJUTDKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds5

About 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine

1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 116950761) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID116950761
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-4-17-13-6-5-11(7-10(13)2)14(15-3)12-8-16-9-12/h5-7,12,14-16H,4,8-9H2,1-3H3
InChIKeyOWPRMTIQJUTDKG-UHFFFAOYSA-N
XLogP1.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104657499
1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 43483728

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine (CID 116950761) is 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)C2CNC2)cc1C.
What is the InChIKey of 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is OWPRMTIQJUTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-17-13-6-5-11(7-10(13)2)14(15-3)12-8-16-9-12/h5-7,12,14-16H,4,8-9H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine?
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116950761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).