N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine

C15H22INO — CID 115864436

IUPACN-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1COC(C)C1
InChIInChI=1S/C15H22INO/c1-3-17-15(13-8-11(2)18-10-13)9-12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyGMEHVBSUPYFLTA-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.24
Rot. Bonds5

About N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine

N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 115864436) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID115864436
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1COC(C)C1
InChIInChI=1S/C15H22INO/c1-3-17-15(13-8-11(2)18-10-13)9-12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyGMEHVBSUPYFLTA-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.24
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-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115842776
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine (CID 115864436) is N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccc(I)cc1)C1COC(C)C1.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is GMEHVBSUPYFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-3-17-15(13-8-11(2)18-10-13)9-12-4-6-14(16)7-5-12/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 359.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115864436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).