1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C15H16ClIN2 — CID 107605988

IUPAC1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1ccc(I)cc1Cl)CCCC2N
InChIInChI=1S/C15H16ClIN2/c1-9-7-11-13(18)3-2-4-14(11)19(9)15-6-5-10(17)8-12(15)16/h5-8,13H,2-4,18H2,1H3
InChIKeyGJZPICWXXJONQD-UHFFFAOYSA-N
MW386.66 g/mol
LogP4.38
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 107605988) has the molecular formula C15H16ClIN2 and a molecular weight of 386.66 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID107605988
Molecular FormulaC15H16ClIN2
Molecular Weight386.66 g/mol
Exact Mass386.00
IUPAC Name1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1ccc(I)cc1Cl)CCCC2N
InChIInChI=1S/C15H16ClIN2/c1-9-7-11-13(18)3-2-4-14(11)19(9)15-6-5-10(17)8-12(15)16/h5-8,13H,2-4,18H2,1H3
InChIKeyGJZPICWXXJONQD-UHFFFAOYSA-N
XLogP4.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 107605988) is 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1-c1ccc(I)cc1Cl)CCCC2N.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is GJZPICWXXJONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2/c1-9-7-11-13(18)3-2-4-14(11)19(9)15-6-5-10(17)8-12(15)16/h5-8,13H,2-4,18H2,1H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 386.66 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 107605988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).