1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C17H20Cl2N2 — CID 63465933

IUPAC1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1-c1cccc(Cl)c1Cl)CC(C)(C)CC2N
InChIInChI=1S/C17H20Cl2N2/c1-10-7-11-13(20)8-17(2,3)9-15(11)21(10)14-6-4-5-12(18)16(14)19/h4-7,13H,8-9,20H2,1-3H3
InChIKeyVHBBVOIWTIHWIG-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.06
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63465933) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63465933
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1-c1cccc(Cl)c1Cl)CC(C)(C)CC2N
InChIInChI=1S/C17H20Cl2N2/c1-10-7-11-13(20)8-17(2,3)9-15(11)21(10)14-6-4-5-12(18)16(14)19/h4-7,13H,8-9,20H2,1-3H3
InChIKeyVHBBVOIWTIHWIG-UHFFFAOYSA-N
XLogP5.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 63465933) is 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1-c1cccc(Cl)c1Cl)CC(C)(C)CC2N.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is VHBBVOIWTIHWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-10-7-11-13(20)8-17(2,3)9-15(11)21(10)14-6-4-5-12(18)16(14)19/h4-7,13H,8-9,20H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 323.27 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63465933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).