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

C17H26FNO — CID 103163180

IUPAC2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(C)c(F)c(C)c2)C1
InChIInChI=1S/C17H26FNO/c1-5-20-15-8-13(9-15)10-16(19-4)14-6-11(2)17(18)12(3)7-14/h6-7,13,15-16,19H,5,8-10H2,1-4H3
InChIKeyQPUQDIWGCRSNOU-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.91
Rot. Bonds6

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

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 103163180) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
PubChem CID103163180
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(C)c(F)c(C)c2)C1
InChIInChI=1S/C17H26FNO/c1-5-20-15-8-13(9-15)10-16(19-4)14-6-11(2)17(18)12(3)7-14/h6-7,13,15-16,19H,5,8-10H2,1-4H3
InChIKeyQPUQDIWGCRSNOU-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162788
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
2-(3-ethoxycyclobutyl)-N-methyl-1-quinolin-6-ylethanamine
CID 103169272

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine (CID 103163180) is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine is CCOC1CC(CC(NC)c2cc(C)c(F)c(C)c2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is QPUQDIWGCRSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-20-15-8-13(9-15)10-16(19-4)14-6-11(2)17(18)12(3)7-14/h6-7,13,15-16,19H,5,8-10H2,1-4H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.91, 6 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)-N-methylethanamine is sourced from PubChem (CID 103163180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).