6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine

C10H12ClNO2 — CID 86227477

IUPAC6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cc(Cl)cc2c1OCC(N)C2
InChIInChI=1S/C10H12ClNO2/c1-13-9-4-7(11)2-6-3-8(12)5-14-10(6)9/h2,4,8H,3,5,12H2,1H3
InChIKeyDAEKRJBGFQSXBD-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.61
Rot. Bonds1

About 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine

6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 86227477) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID86227477
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cc(Cl)cc2c1OCC(N)C2
InChIInChI=1S/C10H12ClNO2/c1-13-9-4-7(11)2-6-3-8(12)5-14-10(6)9/h2,4,8H,3,5,12H2,1H3
InChIKeyDAEKRJBGFQSXBD-UHFFFAOYSA-N
XLogP1.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 86227477) is 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cc(Cl)cc2c1OCC(N)C2.
What is the InChIKey of 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is DAEKRJBGFQSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-9-4-7(11)2-6-3-8(12)5-14-10(6)9/h2,4,8H,3,5,12H2,1H3.
What are the key properties of 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 213.66 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 86227477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).