N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine

C16H24FNO2 — CID 103556253

IUPACN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyVIJYFOBZBHFBBT-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556253) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556253
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyVIJYFOBZBHFBBT-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556253) is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is VIJYFOBZBHFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).