1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine

C13H20N2O — CID 65244316

IUPAC1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
SMILESCCOc1ccccc1C(C)N1CC(N)C1
InChIInChI=1S/C13H20N2O/c1-3-16-13-7-5-4-6-12(13)10(2)15-8-11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyLXPKJYDLISBGIY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds4

About 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine

1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine (PubChem CID 65244316) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
PubChem CID65244316
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
SMILESCCOc1ccccc1C(C)N1CC(N)C1
InChIInChI=1S/C13H20N2O/c1-3-16-13-7-5-4-6-12(13)10(2)15-8-11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyLXPKJYDLISBGIY-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
6-[1-(2-ethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678293
(2-ethoxyphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79664711
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine (CID 65244316) is 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine is CCOc1ccccc1C(C)N1CC(N)C1.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine?
The InChIKey is LXPKJYDLISBGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-16-13-7-5-4-6-12(13)10(2)15-8-11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine?
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 65244316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).