6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H14Cl2INO — CID 43785265

IUPAC6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)ccc1NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H14Cl2INO/c1-9-6-11(19)2-3-14(9)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyNLSXRERYWDDESH-UHFFFAOYSA-N
MW434.10 g/mol
LogP5.84
Rot. Bonds2

About 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43785265) has the molecular formula C16H14Cl2INO and a molecular weight of 434.10 g/mol. Its IUPAC name is 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43785265
Molecular FormulaC16H14Cl2INO
Molecular Weight434.10 g/mol
Exact Mass432.95
IUPAC Name6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)ccc1NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H14Cl2INO/c1-9-6-11(19)2-3-14(9)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyNLSXRERYWDDESH-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.10
LogP ≤ 55.84
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

6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 63477888
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 107584754
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696
6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43762220
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
6,8-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61014453
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61016507

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43785265) is 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(I)ccc1NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NLSXRERYWDDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2INO/c1-9-6-11(19)2-3-14(9)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3.
What are the key properties of 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 434.10 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43785265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).