2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine

C14H21NO3 — CID 104676046

IUPAC2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14-12(15-2)9-13(14)18-11-7-5-10(16-3)6-8-11/h5-8,12-15H,4,9H2,1-3H3
InChIKeyYVUUUHUNYPOVLU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds6

About 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine

2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 104676046) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
PubChem CID104676046
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14-12(15-2)9-13(14)18-11-7-5-10(16-3)6-8-11/h5-8,12-15H,4,9H2,1-3H3
InChIKeyYVUUUHUNYPOVLU-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-methoxy-N-methyl-3-phenoxycyclobutan-1-amine
CID 104674319
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 104676461
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547426
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751193
3-(3-bromo-4-fluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676686

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine (CID 104676046) is 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is YVUUUHUNYPOVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14-12(15-2)9-13(14)18-11-7-5-10(16-3)6-8-11/h5-8,12-15H,4,9H2,1-3H3.
What are the key properties of 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).