(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine

C13H13ClINO2 — CID 114030695

IUPAC(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
SMILESCOCc1ccc(C(N)c2cc(Cl)ccc2I)o1
InChIInChI=1S/C13H13ClINO2/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6,13H,7,16H2,1H3
InChIKeyGKJDFGUQDKODPL-UHFFFAOYSA-N
MW377.61 g/mol
LogP3.73
Rot. Bonds4

About (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine

(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine (PubChem CID 114030695) has the molecular formula C13H13ClINO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
PubChem CID114030695
Molecular FormulaC13H13ClINO2
Molecular Weight377.61 g/mol
Exact Mass376.97
IUPAC Name(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
SMILESCOCc1ccc(C(N)c2cc(Cl)ccc2I)o1
InChIInChI=1S/C13H13ClINO2/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6,13H,7,16H2,1H3
InChIKeyGKJDFGUQDKODPL-UHFFFAOYSA-N
XLogP3.73
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
CID 113461711
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
CID 114030041
2-(4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]ethanamine
CID 113461713
1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
CID 55273586
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline
CID 113461787
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The IUPAC name of (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine (CID 114030695) is (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine is COCc1ccc(C(N)c2cc(Cl)ccc2I)o1.
What is the InChIKey of (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
The InChIKey is GKJDFGUQDKODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClINO2/c1-17-7-9-3-5-12(18-9)13(16)10-6-8(14)2-4-11(10)15/h2-6,13H,7,16H2,1H3.
What are the key properties of (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine?
(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine has a molecular weight of 377.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 114030695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).