2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine

C17H26INO — CID 66357441

IUPAC2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(I)c2)C1(CC)CC
InChIInChI=1S/C17H26INO/c1-4-10-19-15-12-16(17(15,5-2)6-3)20-14-9-7-8-13(18)11-14/h7-9,11,15-16,19H,4-6,10,12H2,1-3H3
InChIKeyDODYQRWAZKCNEI-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.62
Rot. Bonds7

About 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine

2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66357441) has the molecular formula C17H26INO and a molecular weight of 387.31 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
PubChem CID66357441
Molecular FormulaC17H26INO
Molecular Weight387.31 g/mol
Exact Mass387.11
IUPAC Name2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(I)c2)C1(CC)CC
InChIInChI=1S/C17H26INO/c1-4-10-19-15-12-16(17(15,5-2)6-3)20-14-9-7-8-13(18)11-14/h7-9,11,15-16,19H,4-6,10,12H2,1-3H3
InChIKeyDODYQRWAZKCNEI-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.62
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-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264
2,2-diethyl-3-(2-ethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358462
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine
CID 66358483
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 81421409
N,2,2-triethyl-3-(4-fluorophenoxy)cyclobutan-1-amine
CID 66358535
3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358217
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine (CID 66357441) is 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccc(I)c2)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is DODYQRWAZKCNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO/c1-4-10-19-15-12-16(17(15,5-2)6-3)20-14-9-7-8-13(18)11-14/h7-9,11,15-16,19H,4-6,10,12H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine?
2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 387.31 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).