N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine

C16H24INO — CID 66358483

IUPACN,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2I)C1(CC)CC
InChIInChI=1S/C16H24INO/c1-4-16(5-2)14(18-6-3)11-15(16)19-13-10-8-7-9-12(13)17/h7-10,14-15,18H,4-6,11H2,1-3H3
InChIKeyMTLFUUICCILKRP-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.23
Rot. Bonds6

About N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine

N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine (PubChem CID 66358483) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine
PubChem CID66358483
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC NameN,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2I)C1(CC)CC
InChIInChI=1S/C16H24INO/c1-4-16(5-2)14(18-6-3)11-15(16)19-13-10-8-7-9-12(13)17/h7-10,14-15,18H,4-6,11H2,1-3H3
InChIKeyMTLFUUICCILKRP-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.23
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

N,2,2-triethyl-3-(4-fluorophenoxy)cyclobutan-1-amine
CID 66358535
2,2-diethyl-3-(2-ethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358462
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998
2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
CID 66357441
N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66359159
N,2,2-triethyl-3-propan-2-yloxycyclobutan-1-amine
CID 66359205
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356948
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine (CID 66358483) is N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine is CCNC1CC(Oc2ccccc2I)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine?
The InChIKey is MTLFUUICCILKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO/c1-4-16(5-2)14(18-6-3)11-15(16)19-13-10-8-7-9-12(13)17/h7-10,14-15,18H,4-6,11H2,1-3H3.
What are the key properties of N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine?
N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine has a molecular weight of 373.28 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-3-(2-iodophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).