N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine

C13H13ClINO — CID 103215267

IUPACN-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(I)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClINO/c1-2-16-13(12-4-3-7-17-12)9-5-6-11(15)10(14)8-9/h3-8,13,16H,2H2,1H3
InChIKeyWWOYBOJKBKNNBZ-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.24
Rot. Bonds4

About N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine

N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 103215267) has the molecular formula C13H13ClINO and a molecular weight of 361.61 g/mol. Its IUPAC name is N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID103215267
Molecular FormulaC13H13ClINO
Molecular Weight361.61 g/mol
Exact Mass360.97
IUPAC NameN-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(I)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClINO/c1-2-16-13(12-4-3-7-17-12)9-5-6-11(15)10(14)8-9/h3-8,13,16H,2H2,1H3
InChIKeyWWOYBOJKBKNNBZ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[(2-chloro-4,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103220538
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[(3-chloro-4-iodophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302706
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[(3-chloro-4-iodophenyl)-(2,5-dibromophenyl)methyl]ethanamine
CID 103220094

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine (CID 103215267) is N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccc(I)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is WWOYBOJKBKNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClINO/c1-2-16-13(12-4-3-7-17-12)9-5-6-11(15)10(14)8-9/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine?
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 361.61 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103215267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).