2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine

C15H22FNO — CID 103169321

IUPAC2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1cccc(OC)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-13(10-11-6-4-7-11)12-8-5-9-14(18-2)15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLRUGPVGPBAVYHQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.68
Rot. Bonds6

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

2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 103169321) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID103169321
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1cccc(OC)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-13(10-11-6-4-7-11)12-8-5-9-14(18-2)15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLRUGPVGPBAVYHQ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine (CID 103169321) is 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine is CCNC(CC1CCC1)c1cccc(OC)c1F.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is LRUGPVGPBAVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-13(10-11-6-4-7-11)12-8-5-9-14(18-2)15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine?
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 103169321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).