6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine

C17H23Cl2NO — CID 64921533

IUPAC6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1CCC(NC2CCOc3c(Cl)cc(Cl)cc32)C1C
InChIInChI=1S/C17H23Cl2NO/c1-3-11-4-5-15(10(11)2)20-16-6-7-21-17-13(16)8-12(18)9-14(17)19/h8-11,15-16,20H,3-7H2,1-2H3
InChIKeyLPINATAUCAOEEY-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.23
Rot. Bonds3

About 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64921533) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID64921533
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1CCC(NC2CCOc3c(Cl)cc(Cl)cc32)C1C
InChIInChI=1S/C17H23Cl2NO/c1-3-11-4-5-15(10(11)2)20-16-6-7-21-17-13(16)8-12(18)9-14(17)19/h8-11,15-16,20H,3-7H2,1-2H3
InChIKeyLPINATAUCAOEEY-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine (CID 64921533) is 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine is CCC1CCC(NC2CCOc3c(Cl)cc(Cl)cc32)C1C.
What is the InChIKey of 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LPINATAUCAOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-3-11-4-5-15(10(11)2)20-16-6-7-21-17-13(16)8-12(18)9-14(17)19/h8-11,15-16,20H,3-7H2,1-2H3.
What are the key properties of 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 328.28 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64921533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).