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

C14H19FN2O2 — CID 102885381

IUPAC(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-3-6-14(16)8-17(9-14)13(18)11-5-4-10(19-2)7-12(11)15/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyBXCQAFKSMAQIHO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.79
Rot. Bonds4

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

(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102885381) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102885381
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C14H19FN2O2/c1-3-6-14(16)8-17(9-14)13(18)11-5-4-10(19-2)7-12(11)15/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyBXCQAFKSMAQIHO-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102885380
(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
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102885381) is (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is CCCC1(N)CN(C(=O)c2ccc(OC)cc2F)C1.
What is the InChIKey of (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is BXCQAFKSMAQIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-6-14(16)8-17(9-14)13(18)11-5-4-10(19-2)7-12(11)15/h4-5,7H,3,6,8-9,16H2,1-2H3.
What are the key properties of (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 266.32 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 (3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102885381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).