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

C12H18N2 — CID 79676976

IUPAC[2-(3-ethylazetidin-1-yl)phenyl]methanamine
SMILESCCC1CN(c2ccccc2CN)C1
InChIInChI=1S/C12H18N2/c1-2-10-8-14(9-10)12-6-4-3-5-11(12)7-13/h3-6,10H,2,7-9,13H2,1H3
InChIKeyFJEDEGZOMVZFCP-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.99
Rot. Bonds3

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

[2-(3-ethylazetidin-1-yl)phenyl]methanamine (PubChem CID 79676976) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [2-(3-ethylazetidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylazetidin-1-yl)phenyl]methanamine
PubChem CID79676976
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[2-(3-ethylazetidin-1-yl)phenyl]methanamine
SMILESCCC1CN(c2ccccc2CN)C1
InChIInChI=1S/C12H18N2/c1-2-10-8-14(9-10)12-6-4-3-5-11(12)7-13/h3-6,10H,2,7-9,13H2,1H3
InChIKeyFJEDEGZOMVZFCP-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
CID 107274220
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629
[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
CID 107467236
N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
CID 79678809
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43164176
[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylazetidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-(3-ethylazetidin-1-yl)phenyl]methanamine (CID 79676976) is [2-(3-ethylazetidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-ethylazetidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-ethylazetidin-1-yl)phenyl]methanamine is CCC1CN(c2ccccc2CN)C1.
What is the InChIKey of [2-(3-ethylazetidin-1-yl)phenyl]methanamine?
The InChIKey is FJEDEGZOMVZFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-10-8-14(9-10)12-6-4-3-5-11(12)7-13/h3-6,10H,2,7-9,13H2,1H3.
What are the key properties of [2-(3-ethylazetidin-1-yl)phenyl]methanamine?
[2-(3-ethylazetidin-1-yl)phenyl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylazetidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 79676976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).