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

C11H16ClNO — CID 75412144

IUPAC(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCCc1ccc2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;/h3-4,7,10H,2,5-6,12H2,1H3;1H/t10-;/m0./s1
InChIKeyWBTUGJKFCHWBJM-PPHPATTJSA-N
MW213.71 g/mol
LogP2.45
Rot. Bonds1

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

(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 75412144) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID75412144
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCCc1ccc2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;/h3-4,7,10H,2,5-6,12H2,1H3;1H/t10-;/m0./s1
InChIKeyWBTUGJKFCHWBJM-PPHPATTJSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 75412144) is (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is CCc1ccc2c(c1)[C@@H](N)CCO2.Cl.
What is the InChIKey of (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is WBTUGJKFCHWBJM-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11;/h3-4,7,10H,2,5-6,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 75412144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).