1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine

C15H17ClINO — CID 107607500

IUPAC1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C15H17ClINO/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(17)9-12(11)16/h5-9,13,18H,3-4H2,1-2H3
InChIKeyGIRDCHZKCFOFCR-UHFFFAOYSA-N
MW389.66 g/mol
LogP5.27
Rot. Bonds5

About 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine

1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine (PubChem CID 107607500) has the molecular formula C15H17ClINO and a molecular weight of 389.66 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
PubChem CID107607500
Molecular FormulaC15H17ClINO
Molecular Weight389.66 g/mol
Exact Mass389.00
IUPAC Name1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C15H17ClINO/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(17)9-12(11)16/h5-9,13,18H,3-4H2,1-2H3
InChIKeyGIRDCHZKCFOFCR-UHFFFAOYSA-N
XLogP5.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine 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

1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine
CID 55185572
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851
N-ethyl-1-[5-(2-propylphenyl)furan-2-yl]propan-1-amine
CID 63398978
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-2-methylbutan-2-amine
CID 17211019
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 103481081

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine (CID 107607500) is 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2ccc(I)cc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The InChIKey is GIRDCHZKCFOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClINO/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(17)9-12(11)16/h5-9,13,18H,3-4H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine?
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine has a molecular weight of 389.66 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107607500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).