8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine

C17H14Cl2N2 — CID 19348222

IUPAC8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
SMILESNC1CCc2c(-c3ccc(Cl)cc3)[nH]c3c(Cl)ccc1c23
InChIInChI=1S/C17H14Cl2N2/c18-10-3-1-9(2-4-10)16-12-6-8-14(20)11-5-7-13(19)17(21-16)15(11)12/h1-5,7,14,21H,6,8,20H2
InChIKeyVCGMQEGZVMTAEP-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.09
Rot. Bonds1

About 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine

8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine (PubChem CID 19348222) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine.

Molecular Properties

Compound Name8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
PubChem CID19348222
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
SMILESNC1CCc2c(-c3ccc(Cl)cc3)[nH]c3c(Cl)ccc1c23
InChIInChI=1S/C17H14Cl2N2/c18-10-3-1-9(2-4-10)16-12-6-8-14(20)11-5-7-13(19)17(21-16)15(11)12/h1-5,7,14,21H,6,8,20H2
InChIKeyVCGMQEGZVMTAEP-UHFFFAOYSA-N
XLogP5.09
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The IUPAC name of 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine (CID 19348222) is 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine.
What is the SMILES notation for 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The canonical SMILES for 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine is NC1CCc2c(-c3ccc(Cl)cc3)[nH]c3c(Cl)ccc1c23.
What is the InChIKey of 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The InChIKey is VCGMQEGZVMTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-10-3-1-9(2-4-10)16-12-6-8-14(20)11-5-7-13(19)17(21-16)15(11)12/h1-5,7,14,21H,6,8,20H2.
What are the key properties of 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine has a molecular weight of 317.22 g/mol, XLogP of 5.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine is sourced from PubChem (CID 19348222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).