1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine

C14H20IN — CID 65478174

IUPAC1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCC1
InChIInChI=1S/C14H20IN/c1-2-16-14(12-4-3-5-12)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyCQYMEQFOZBKLIF-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.61
Rot. Bonds5

About 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine

1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine (PubChem CID 65478174) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
PubChem CID65478174
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCC1
InChIInChI=1S/C14H20IN/c1-2-16-14(12-4-3-5-12)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyCQYMEQFOZBKLIF-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine (CID 65478174) is 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine is CCNC(Cc1ccc(I)cc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine?
The InChIKey is CQYMEQFOZBKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-2-16-14(12-4-3-5-12)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3.
What are the key properties of 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine?
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine has a molecular weight of 329.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 65478174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).