2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

C18H28FNO — CID 106883381

IUPAC2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FNO/c1-5-20-17(11-14-9-15(10-14)21-6-2)18-13(4)7-12(3)8-16(18)19/h7-8,14-15,17,20H,5-6,9-11H2,1-4H3
InChIKeyPXFCCEIGNLAYAU-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.30
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (PubChem CID 106883381) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
PubChem CID106883381
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FNO/c1-5-20-17(11-14-9-15(10-14)21-6-2)18-13(4)7-12(3)8-16(18)19/h7-8,14-15,17,20H,5-6,9-11H2,1-4H3
InChIKeyPXFCCEIGNLAYAU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883887
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (CID 106883381) is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is CCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The InChIKey is PXFCCEIGNLAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-20-17(11-14-9-15(10-14)21-6-2)18-13(4)7-12(3)8-16(18)19/h7-8,14-15,17,20H,5-6,9-11H2,1-4H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106883381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).