3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine

C11H13ClFNO — CID 112564095

IUPAC3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C1(F)CC(N)C1
InChIInChI=1S/C11H13ClFNO/c1-15-10-3-2-7(12)4-9(10)11(13)5-8(14)6-11/h2-4,8H,5-6,14H2,1H3
InChIKeyVCZMYSLEABMMFM-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.63
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine

3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine (PubChem CID 112564095) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
PubChem CID112564095
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C1(F)CC(N)C1
InChIInChI=1S/C11H13ClFNO/c1-15-10-3-2-7(12)4-9(10)11(13)5-8(14)6-11/h2-4,8H,5-6,14H2,1H3
InChIKeyVCZMYSLEABMMFM-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine
CID 58772408
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine (CID 112564095) is 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine is COc1ccc(Cl)cc1C1(F)CC(N)C1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine?
The InChIKey is VCZMYSLEABMMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-10-3-2-7(12)4-9(10)11(13)5-8(14)6-11/h2-4,8H,5-6,14H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine?
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine has a molecular weight of 229.68 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).