(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone

C14H18FNO2 — CID 116921717

IUPAC(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)c2cc(F)ccc2OC)CCC1
InChIInChI=1S/C14H18FNO2/c1-16-9-14(6-3-7-14)13(17)11-8-10(15)4-5-12(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyZHQFQLHYZIMEIK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.41
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone (PubChem CID 116921717) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
PubChem CID116921717
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)c2cc(F)ccc2OC)CCC1
InChIInChI=1S/C14H18FNO2/c1-16-9-14(6-3-7-14)13(17)11-8-10(15)4-5-12(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyZHQFQLHYZIMEIK-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921363
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
1-[(5-fluoro-2-methoxy-N-methylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246442
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone (CID 116921717) is (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone is CNCC1(C(=O)c2cc(F)ccc2OC)CCC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The InChIKey is ZHQFQLHYZIMEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-9-14(6-3-7-14)13(17)11-8-10(15)4-5-12(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone has a molecular weight of 251.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone is sourced from PubChem (CID 116921717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).