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

C14H20INO — CID 65478793

IUPACN-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCOC1
InChIInChI=1S/C14H20INO/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeySYROVDYDSJPWBU-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.85
Rot. Bonds5

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

N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 65478793) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
PubChem CID65478793
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCOC1
InChIInChI=1S/C14H20INO/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeySYROVDYDSJPWBU-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine (CID 65478793) is N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine is CCNC(Cc1ccc(I)cc1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is SYROVDYDSJPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-2-16-14(12-7-8-17-10-12)9-11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 345.22 g/mol, XLogP of 2.85, 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-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65478793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).