1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide

C13H13ClINO — CID 2806953

IUPAC1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide
SMILESC=C(NCc1ccco1)c1ccc(Cl)cc1.I
InChIInChI=1S/C13H12ClNO.HI/c1-10(11-4-6-12(14)7-5-11)15-9-13-3-2-8-16-13;/h2-8,15H,1,9H2;1H
InChIKeyGGRYQIRZBALXEB-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide (PubChem CID 2806953) has the molecular formula C13H13ClINO and a molecular weight of 361.61 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide
PubChem CID2806953
Molecular FormulaC13H13ClINO
Molecular Weight361.61 g/mol
Exact Mass360.97
IUPAC Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide
SMILESC=C(NCc1ccco1)c1ccc(Cl)cc1.I
InChIInChI=1S/C13H12ClNO.HI/c1-10(11-4-6-12(14)7-5-11)15-9-13-3-2-8-16-13;/h2-8,15H,1,9H2;1H
InChIKeyGGRYQIRZBALXEB-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide 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

(2R,3S)-2,3-bis[(4-chlorobenzoyl)oxy]-4-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 126392831
1-(4-chloroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8656042
(E)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-hydroxy-2-pyridin-1-ium-1-ylprop-2-enethioamide
CID 135982805
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
4-chloro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345881
1-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 8786011
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827212
2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915083
amino N-(furan-2-ylmethyl)carbamodithioate
CID 4258189
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide?
The IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide (CID 2806953) is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide is C=C(NCc1ccco1)c1ccc(Cl)cc1.I.
What is the InChIKey of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide?
The InChIKey is GGRYQIRZBALXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.HI/c1-10(11-4-6-12(14)7-5-11)15-9-13-3-2-8-16-13;/h2-8,15H,1,9H2;1H.
What are the key properties of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide?
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide has a molecular weight of 361.61 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide is sourced from PubChem (CID 2806953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).