8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C10H14ClNO2 — CID 50742671

IUPAC8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1cccc2c1OCC(N)C2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-7-5-8(11)6-13-10(7)9;/h2-4,8H,5-6,11H2,1H3;1H
InChIKeyUIIOKMKWCDGQSS-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.38
Rot. Bonds1

About 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride

8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 50742671) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID50742671
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1cccc2c1OCC(N)C2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-7-5-8(11)6-13-10(7)9;/h2-4,8H,5-6,11H2,1H3;1H
InChIKeyUIIOKMKWCDGQSS-UHFFFAOYSA-N
XLogP1.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 50742671) is 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride is COc1cccc2c1OCC(N)C2.Cl.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is UIIOKMKWCDGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-7-5-8(11)6-13-10(7)9;/h2-4,8H,5-6,11H2,1H3;1H.
What are the key properties of 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 50742671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).