N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine

C14H22N2O — CID 115207956

IUPACN-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCOc1cccc(CCN(C)CC2CNC2)c1
InChIInChI=1S/C14H22N2O/c1-16(11-13-9-15-10-13)7-6-12-4-3-5-14(8-12)17-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3
InChIKeyMBCHCUFJYVWARQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.39
Rot. Bonds6

About N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine

N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 115207956) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID115207956
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCOc1cccc(CCN(C)CC2CNC2)c1
InChIInChI=1S/C14H22N2O/c1-16(11-13-9-15-10-13)7-6-12-4-3-5-14(8-12)17-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3
InChIKeyMBCHCUFJYVWARQ-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906
N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine
CID 115207934
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248223
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 115207956) is N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine is COc1cccc(CCN(C)CC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is MBCHCUFJYVWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(11-13-9-15-10-13)7-6-12-4-3-5-14(8-12)17-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine?
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115207956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).