[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone

C20H23FN2O4 — CID 118792922

IUPAC[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
SMILESCOc1ccc(OCCCN)c(C(=O)N2CC(Oc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O4/c1-25-14-7-8-18(26-10-4-9-22)16(11-14)20(24)23-12-15(13-23)27-19-6-3-2-5-17(19)21/h2-3,5-8,11,15H,4,9-10,12-13,22H2,1H3
InChIKeySKPDFFSNKZEMHD-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.47
Rot. Bonds8

About [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone

[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone (PubChem CID 118792922) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
PubChem CID118792922
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
SMILESCOc1ccc(OCCCN)c(C(=O)N2CC(Oc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O4/c1-25-14-7-8-18(26-10-4-9-22)16(11-14)20(24)23-12-15(13-23)27-19-6-3-2-5-17(19)21/h2-3,5-8,11,15H,4,9-10,12-13,22H2,1H3
InChIKeySKPDFFSNKZEMHD-UHFFFAOYSA-N
XLogP2.47
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
[2-(3-aminopropoxy)-5-methoxyphenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 118777830
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
2-[2-(3-aminopropoxy)-5-methoxybenzoyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 118770151
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 118767196
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
CID 118780575
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120743157

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone?
The IUPAC name of [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone (CID 118792922) is [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone?
The canonical SMILES for [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone is COc1ccc(OCCCN)c(C(=O)N2CC(Oc3ccccc3F)C2)c1.
What is the InChIKey of [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone?
The InChIKey is SKPDFFSNKZEMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-25-14-7-8-18(26-10-4-9-22)16(11-14)20(24)23-12-15(13-23)27-19-6-3-2-5-17(19)21/h2-3,5-8,11,15H,4,9-10,12-13,22H2,1H3.
What are the key properties of [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone?
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone has a molecular weight of 374.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 118792922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).