N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine

C14H22N2 — CID 115207950

IUPACN-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCN(C)CC2CNC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)6-7-16(2)11-14-9-15-10-14/h3-5,8,14-15H,6-7,9-11H2,1-2H3
InChIKeyBKOGDLFWRCAGAR-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.69
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine

N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 115207950) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID115207950
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCN(C)CC2CNC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)6-7-16(2)11-14-9-15-10-14/h3-5,8,14-15H,6-7,9-11H2,1-2H3
InChIKeyBKOGDLFWRCAGAR-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240285
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
methyl 4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoate
CID 115233522

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 115207950) is N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine is Cc1cccc(CCN(C)CC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is BKOGDLFWRCAGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)6-7-16(2)11-14-9-15-10-14/h3-5,8,14-15H,6-7,9-11H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine?
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115207950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).