N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine

C19H17ClINO2 — CID 17208318

IUPACN-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C19H17ClINO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(21)10-17(16)20/h2-10,22H,11-12H2,1H3
InChIKeyYHFJFRJFKVUKEE-UHFFFAOYSA-N
MW453.71 g/mol
LogP5.50
Rot. Bonds6

About N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine

N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 17208318) has the molecular formula C19H17ClINO2 and a molecular weight of 453.71 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID17208318
Molecular FormulaC19H17ClINO2
Molecular Weight453.71 g/mol
Exact Mass453.00
IUPAC NameN-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(-c2ccc(I)cc2Cl)o1
InChIInChI=1S/C19H17ClINO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(21)10-17(16)20/h2-10,22H,11-12H2,1H3
InChIKeyYHFJFRJFKVUKEE-UHFFFAOYSA-N
XLogP5.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.71
LogP ≤ 55.50
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

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208292
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211441
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-2-methylbutan-2-amine
CID 17211019
2-[3-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214372
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (CID 17208318) is N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1ccc(-c2ccc(I)cc2Cl)o1.
What is the InChIKey of N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is YHFJFRJFKVUKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClINO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(21)10-17(16)20/h2-10,22H,11-12H2,1H3.
What are the key properties of N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 453.71 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17208318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).