1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine

C13H18FNO — CID 117320262

IUPAC1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
SMILESCOc1ccc(C(C)F)cc1C1(N)CCC1
InChIInChI=1S/C13H18FNO/c1-9(14)10-4-5-12(16-2)11(8-10)13(15)6-3-7-13/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyCFRMXXPRNBRMOY-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.06
Rot. Bonds3

About 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine

1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine (PubChem CID 117320262) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
PubChem CID117320262
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
SMILESCOc1ccc(C(C)F)cc1C1(N)CCC1
InChIInChI=1S/C13H18FNO/c1-9(14)10-4-5-12(16-2)11(8-10)13(15)6-3-7-13/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyCFRMXXPRNBRMOY-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine (CID 117320262) is 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine is COc1ccc(C(C)F)cc1C1(N)CCC1.
What is the InChIKey of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine?
The InChIKey is CFRMXXPRNBRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(14)10-4-5-12(16-2)11(8-10)13(15)6-3-7-13/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine?
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine is sourced from PubChem (CID 117320262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).