2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine

C13H18INO — CID 66356835

IUPAC2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,11-12H,3,8,15H2,1-2H3
InChIKeyMFBRUCCTBAFHTN-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.19
Rot. Bonds3

About 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine

2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine (PubChem CID 66356835) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
PubChem CID66356835
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,11-12H,3,8,15H2,1-2H3
InChIKeyMFBRUCCTBAFHTN-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66358501
2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
CID 66357108
2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 66357616
2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one
CID 66368673
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 102715077
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 66352041
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
2-ethyl-2-methyl-3-(4-propylphenoxy)cyclobutan-1-ol
CID 66343544
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-nitrobenzene
CID 66343582
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine (CID 66356835) is 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1Oc1ccc(I)cc1.
What is the InChIKey of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine?
The InChIKey is MFBRUCCTBAFHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,11-12H,3,8,15H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine?
2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine has a molecular weight of 331.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66356835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).