3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine

C15H22FNO2 — CID 112553069

IUPAC3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(F)ccc2OC)C1
InChIInChI=1S/C15H22FNO2/c1-4-19-13-8-12(9-13)17-10(2)14-7-11(16)5-6-15(14)18-3/h5-7,10,12-13,17H,4,8-9H2,1-3H3
InChIKeyIEJARRUVMLFHHS-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds6

About 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine

3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine (PubChem CID 112553069) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
PubChem CID112553069
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(F)ccc2OC)C1
InChIInChI=1S/C15H22FNO2/c1-4-19-13-8-12(9-13)17-10(2)14-7-11(16)5-6-15(14)18-3/h5-7,10,12-13,17H,4,8-9H2,1-3H3
InChIKeyIEJARRUVMLFHHS-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine (CID 112553069) is 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2cc(F)ccc2OC)C1.
What is the InChIKey of 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is IEJARRUVMLFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-19-13-8-12(9-13)17-10(2)14-7-11(16)5-6-15(14)18-3/h5-7,10,12-13,17H,4,8-9H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 112553069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).