[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine

C13H20N2O — CID 107467236

IUPAC[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
SMILESCCC1CN(c2c(CN)cccc2OC)C1
InChIInChI=1S/C13H20N2O/c1-3-10-8-15(9-10)13-11(7-14)5-4-6-12(13)16-2/h4-6,10H,3,7-9,14H2,1-2H3
InChIKeyZCHVCZFZEKRZPU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds4

About [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine

[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine (PubChem CID 107467236) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
PubChem CID107467236
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
SMILESCCC1CN(c2c(CN)cccc2OC)C1
InChIInChI=1S/C13H20N2O/c1-3-10-8-15(9-10)13-11(7-14)5-4-6-12(13)16-2/h4-6,10H,3,7-9,14H2,1-2H3
InChIKeyZCHVCZFZEKRZPU-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
CID 107467223
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
CID 79676976
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107467227
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine (CID 107467236) is [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine is CCC1CN(c2c(CN)cccc2OC)C1.
What is the InChIKey of [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine?
The InChIKey is ZCHVCZFZEKRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10-8-15(9-10)13-11(7-14)5-4-6-12(13)16-2/h4-6,10H,3,7-9,14H2,1-2H3.
What are the key properties of [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine?
[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 107467236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).