(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C10H14ClNO2 — CID 72943041

IUPAC(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1ccc2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10;/h2-3,6,9H,4-5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyUOSQHESJUHEMLZ-FVGYRXGTSA-N
MW215.68 g/mol
LogP1.90
Rot. Bonds1

About (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 72943041) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID72943041
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1ccc2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10;/h2-3,6,9H,4-5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyUOSQHESJUHEMLZ-FVGYRXGTSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 72943041) is (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1ccc2c(c1)[C@@H](N)CCO2.Cl.
What is the InChIKey of (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is UOSQHESJUHEMLZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10;/h2-3,6,9H,4-5,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 72943041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).