6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C12H18ClNO — CID 3029133

IUPAC6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCCOc1ccc2c(c1)CCN(C)C2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-14-12-5-4-11-9-13(2)7-6-10(11)8-12;/h4-5,8H,3,6-7,9H2,1-2H3;1H
InChIKeyLBTYNXYRVDKFTF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.49
Rot. Bonds2

About 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 3029133) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID3029133
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCCOc1ccc2c(c1)CCN(C)C2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-14-12-5-4-11-9-13(2)7-6-10(11)8-12;/h4-5,8H,3,6-7,9H2,1-2H3;1H
InChIKeyLBTYNXYRVDKFTF-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;dihydrochloride
CID 159371166
3-methyl-7-(2,2,2-trifluoroethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 59257929
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
5-[(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903904
6-ethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120903906
7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175826905

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 3029133) is 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is CCOc1ccc2c(c1)CCN(C)C2.Cl.
What is the InChIKey of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is LBTYNXYRVDKFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-3-14-12-5-4-11-9-13(2)7-6-10(11)8-12;/h4-5,8H,3,6-7,9H2,1-2H3;1H.
What are the key properties of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 3029133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).