2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

C14H18F3NO — CID 103556168

IUPAC2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(CC1(OC)CCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO/c1-18-12(8-14(19-2)4-3-5-14)13-10(16)6-9(15)7-11(13)17/h6-7,12,18H,3-5,8H2,1-2H3
InChIKeyCNAMRFYXVSCOLQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 103556168) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID103556168
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(CC1(OC)CCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO/c1-18-12(8-14(19-2)4-3-5-14)13-10(16)6-9(15)7-11(13)17/h6-7,12,18H,3-5,8H2,1-2H3
InChIKeyCNAMRFYXVSCOLQ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 106878353
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556185
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (CID 103556168) is 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is CNC(CC1(OC)CCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is CNAMRFYXVSCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-12(8-14(19-2)4-3-5-14)13-10(16)6-9(15)7-11(13)17/h6-7,12,18H,3-5,8H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 103556168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).