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

C14H21NO2 — CID 107669459

IUPAC3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCCc1ccc(OC2CC(NC)C2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-10-5-6-13(14(7-10)16-3)17-12-8-11(9-12)15-2/h5-7,11-12,15H,4,8-9H2,1-3H3
InChIKeyQQEKLDYIMHWPPJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds5

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

3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 107669459) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
PubChem CID107669459
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCCc1ccc(OC2CC(NC)C2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-10-5-6-13(14(7-10)16-3)17-12-8-11(9-12)15-2/h5-7,11-12,15H,4,8-9H2,1-3H3
InChIKeyQQEKLDYIMHWPPJ-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
CID 107664429
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 79403567
2-(4-ethyl-2-methoxyphenoxy)-4-methylcyclohexan-1-ol
CID 107667809
2-(4-ethyl-2-methoxyphenoxy)cyclohexan-1-amine
CID 107664389
N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
CID 107664408
2-(5-ethyl-2-methoxyphenyl)cyclopropan-1-amine
CID 82468880
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine (CID 107669459) is 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine is CCc1ccc(OC2CC(NC)C2)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is QQEKLDYIMHWPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-5-6-13(14(7-10)16-3)17-12-8-11(9-12)15-2/h5-7,11-12,15H,4,8-9H2,1-3H3.
What are the key properties of 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine?
3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 107669459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).