2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine

C16H24FNO — CID 103163178

IUPAC2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(C)c(F)c(C)c2)C1
InChIInChI=1S/C16H24FNO/c1-4-19-14-7-12(8-14)9-15(18)13-5-10(2)16(17)11(3)6-13/h5-6,12,14-15H,4,7-9,18H2,1-3H3
InChIKeyDKBXKROTPYCYSF-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine (PubChem CID 103163178) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
PubChem CID103163178
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(C)c(F)c(C)c2)C1
InChIInChI=1S/C16H24FNO/c1-4-19-14-7-12(8-14)9-15(18)13-5-10(2)16(17)11(3)6-13/h5-6,12,14-15H,4,7-9,18H2,1-3H3
InChIKeyDKBXKROTPYCYSF-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103168825
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103169245
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2-(3-ethoxycyclobutyl)-1-quinolin-6-ylethanamine
CID 103169273

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine (CID 103163178) is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine is CCOC1CC(CC(N)c2cc(C)c(F)c(C)c2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine?
The InChIKey is DKBXKROTPYCYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-19-14-7-12(8-14)9-15(18)13-5-10(2)16(17)11(3)6-13/h5-6,12,14-15H,4,7-9,18H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 103163178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).