2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine

C14H20INO2 — CID 104676309

IUPAC2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(I)c2)C1OCC
InChIInChI=1S/C14H20INO2/c1-3-16-12-9-13(14(12)17-4-2)18-11-7-5-6-10(15)8-11/h5-8,12-14,16H,3-4,9H2,1-2H3
InChIKeyDSARBRPAQLMVIU-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.83
Rot. Bonds6

About 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine

2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine (PubChem CID 104676309) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
PubChem CID104676309
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Name2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(I)c2)C1OCC
InChIInChI=1S/C14H20INO2/c1-3-16-12-9-13(14(12)17-4-2)18-11-7-5-6-10(15)8-11/h5-8,12-14,16H,3-4,9H2,1-2H3
InChIKeyDSARBRPAQLMVIU-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
3-(3-bromo-4-fluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676686
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
3-[(5-bromo-3-pyridinyl)oxy]-2-ethoxy-N-ethylcyclobutan-1-amine
CID 113440038
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine (CID 104676309) is 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine is CCNC1CC(Oc2cccc(I)c2)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine?
The InChIKey is DSARBRPAQLMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-3-16-12-9-13(14(12)17-4-2)18-11-7-5-6-10(15)8-11/h5-8,12-14,16H,3-4,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine?
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine has a molecular weight of 361.22 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).