1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride

C11H16ClN — CID 67224173

IUPAC1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCC1(C)NCCc2ccccc21.Cl
InChIInChI=1S/C11H15N.ClH/c1-11(2)10-6-4-3-5-9(10)7-8-12-11;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeyAUMAJLSUMHXAOC-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.49
Rot. Bonds

About 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride

1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride (PubChem CID 67224173) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
PubChem CID67224173
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESCC1(C)NCCc2ccccc21.Cl
InChIInChI=1S/C11H15N.ClH/c1-11(2)10-6-4-3-5-9(10)7-8-12-11;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeyAUMAJLSUMHXAOC-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride (CID 67224173) is 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride.
What is the SMILES notation for 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The canonical SMILES for 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride is CC1(C)NCCc2ccccc21.Cl.
What is the InChIKey of 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The InChIKey is AUMAJLSUMHXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-11(2)10-6-4-3-5-9(10)7-8-12-11;/h3-6,12H,7-8H2,1-2H3;1H.
What are the key properties of 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride is sourced from PubChem (CID 67224173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).