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

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Related Compounds

[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
CID 103785053
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
CID 81345378
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270591
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266

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).