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

C16H18Cl2N2 — CID 63465934

IUPAC1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2cccc(Cl)c2Cl)C(N)C1
InChIInChI=1S/C16H18Cl2N2/c1-16(2)8-12(19)10-6-7-20(14(10)9-16)13-5-3-4-11(17)15(13)18/h3-7,12H,8-9,19H2,1-2H3
InChIKeyFXXQHJHNMYAVTB-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.76
Rot. Bonds1

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

1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63465934) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63465934
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2cccc(Cl)c2Cl)C(N)C1
InChIInChI=1S/C16H18Cl2N2/c1-16(2)8-12(19)10-6-7-20(14(10)9-16)13-5-3-4-11(17)15(13)18/h3-7,12H,8-9,19H2,1-2H3
InChIKeyFXXQHJHNMYAVTB-UHFFFAOYSA-N
XLogP4.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63465934) is 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2-c2cccc(Cl)c2Cl)C(N)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is FXXQHJHNMYAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-16(2)8-12(19)10-6-7-20(14(10)9-16)13-5-3-4-11(17)15(13)18/h3-7,12H,8-9,19H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 309.24 g/mol, XLogP of 4.76, 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)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63465934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).