2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C17H27NO2 — CID 106205144

IUPAC2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(OCCC1CCC1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-18-13-17(20-11-10-14-6-4-7-14)15-8-5-9-16(12-15)19-2/h5,8-9,12,14,17-18H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyIORNKXMBQBDIEL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds9

About 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine

2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 106205144) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID106205144
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(OCCC1CCC1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-18-13-17(20-11-10-14-6-4-7-14)15-8-5-9-16(12-15)19-2/h5,8-9,12,14,17-18H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyIORNKXMBQBDIEL-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82006979
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 106205144) is 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNCC(OCCC1CCC1)c1cccc(OC)c1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is IORNKXMBQBDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-18-13-17(20-11-10-14-6-4-7-14)15-8-5-9-16(12-15)19-2/h5,8-9,12,14,17-18H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 106205144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).