6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H16Cl2IN — CID 107631566

IUPAC6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Cl)cc1I
InChIInChI=1S/C17H16Cl2IN/c1-17(2)9-10-3-4-11(18)7-13(10)16(17)21-15-6-5-12(19)8-14(15)20/h3-8,16,21H,9H2,1-2H3
InChIKeyPGTUZFJGJGHZAI-UHFFFAOYSA-N
MW432.13 g/mol
LogP6.33
Rot. Bonds2

About 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 107631566) has the molecular formula C17H16Cl2IN and a molecular weight of 432.13 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID107631566
Molecular FormulaC17H16Cl2IN
Molecular Weight432.13 g/mol
Exact Mass430.97
IUPAC Name6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Cl)cc1I
InChIInChI=1S/C17H16Cl2IN/c1-17(2)9-10-3-4-11(18)7-13(10)16(17)21-15-6-5-12(19)8-14(15)20/h3-8,16,21H,9H2,1-2H3
InChIKeyPGTUZFJGJGHZAI-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.13
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 107631566) is 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Cl)cc1I.
What is the InChIKey of 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is PGTUZFJGJGHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2IN/c1-17(2)9-10-3-4-11(18)7-13(10)16(17)21-15-6-5-12(19)8-14(15)20/h3-8,16,21H,9H2,1-2H3.
What are the key properties of 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 432.13 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 107631566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).