6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine

C14H15Cl2NO — CID 115728526

IUPAC6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NC1CC=CC1)CCO2
InChIInChI=1S/C14H15Cl2NO/c15-9-7-11-13(17-10-3-1-2-4-10)5-6-18-14(11)12(16)8-9/h1-2,7-8,10,13,17H,3-6H2
InChIKeyAYRDIWRUXIAHSB-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.13
Rot. Bonds2

About 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 115728526) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID115728526
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NC1CC=CC1)CCO2
InChIInChI=1S/C14H15Cl2NO/c15-9-7-11-13(17-10-3-1-2-4-10)5-6-18-14(11)12(16)8-9/h1-2,7-8,10,13,17H,3-6H2
InChIKeyAYRDIWRUXIAHSB-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-1,2-dimethylpiperidin-4-amine
CID 81345378
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
CID 103785053
6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 64921533
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43783005
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine (CID 115728526) is 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine is Clc1cc(Cl)c2c(c1)C(NC1CC=CC1)CCO2.
What is the InChIKey of 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AYRDIWRUXIAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-9-7-11-13(17-10-3-1-2-4-10)5-6-18-14(11)12(16)8-9/h1-2,7-8,10,13,17H,3-6H2.
What are the key properties of 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 284.19 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 115728526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).