(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

C13H17FN2O2 — CID 102885380

IUPAC(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-3-13(15)7-16(8-13)12(17)10-5-4-9(18-2)6-11(10)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyIHYDGXHGADIMKJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.40
Rot. Bonds3

About (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102885380) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102885380
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-3-13(15)7-16(8-13)12(17)10-5-4-9(18-2)6-11(10)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyIHYDGXHGADIMKJ-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102885381
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[(3S,4S)-3-(aminomethyl)-4-ethylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469644
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102885380) is (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is CCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1.
What is the InChIKey of (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is IHYDGXHGADIMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-13(15)7-16(8-13)12(17)10-5-4-9(18-2)6-11(10)14/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102885380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).