1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C15H21F2NO — CID 103162822

IUPAC1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-3-19-12-6-10(7-12)8-15(18-2)11-4-5-13(16)14(17)9-11/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3
InChIKeyQAXOTJNBHLZCLM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103162822) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103162822
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-3-19-12-6-10(7-12)8-15(18-2)11-4-5-13(16)14(17)9-11/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3
InChIKeyQAXOTJNBHLZCLM-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
2-(3-ethoxycyclobutyl)-N-methyl-1-quinolin-6-ylethanamine
CID 103169272
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103162822) is 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is QAXOTJNBHLZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-19-12-6-10(7-12)8-15(18-2)11-4-5-13(16)14(17)9-11/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103162822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).