[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone

C13H18N2O3 — CID 118773491

IUPAC[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC2)c(OCCN)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-3-4-11(12(9-10)18-8-5-14)13(16)15-6-2-7-15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyYLXFAQKVMACEMO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.88
Rot. Bonds5

About [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone

[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone (PubChem CID 118773491) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
PubChem CID118773491
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC2)c(OCCN)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-3-4-11(12(9-10)18-8-5-14)13(16)15-6-2-7-15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyYLXFAQKVMACEMO-UHFFFAOYSA-N
XLogP0.88
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 126448401
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
CID 118780575
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone (CID 118773491) is [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone is COc1ccc(C(=O)N2CCC2)c(OCCN)c1.
What is the InChIKey of [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone?
The InChIKey is YLXFAQKVMACEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-3-4-11(12(9-10)18-8-5-14)13(16)15-6-2-7-15/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone?
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 118773491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).