1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine

C14H22N2O2 — CID 115207629

IUPAC1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2CNC2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-16(10-12-7-15-8-12)9-11-4-5-13(17-2)14(6-11)18-3/h4-6,12,15H,7-10H2,1-3H3
InChIKeyNCZPLCWJXKZRNP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.36
Rot. Bonds6

About 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine

1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine (PubChem CID 115207629) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
PubChem CID115207629
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2CNC2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-16(10-12-7-15-8-12)9-11-4-5-13(17-2)14(6-11)18-3/h4-6,12,15H,7-10H2,1-3H3
InChIKeyNCZPLCWJXKZRNP-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822
N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 126450801
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 116676120
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine (CID 115207629) is 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine is COc1ccc(CN(C)CC2CNC2)cc1OC.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine?
The InChIKey is NCZPLCWJXKZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(10-12-7-15-8-12)9-11-4-5-13(17-2)14(6-11)18-3/h4-6,12,15H,7-10H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine?
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 115207629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).