methanol;2-methyl-3,4-dihydro-1H-isoquinoline

C11H17NO — CID 142001874

IUPACmethanol;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1.CO
InChIInChI=1S/C10H13N.CH4O/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5H,6-8H2,1H3;2H,1H3
InChIKeyWGFZDHJEFCPPOU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.28
Rot. Bonds

About methanol;2-methyl-3,4-dihydro-1H-isoquinoline

methanol;2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 142001874) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is methanol;2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Namemethanol;2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID142001874
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namemethanol;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1.CO
InChIInChI=1S/C10H13N.CH4O/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5H,6-8H2,1H3;2H,1H3
InChIKeyWGFZDHJEFCPPOU-UHFFFAOYSA-N
XLogP1.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of methanol;2-methyl-3,4-dihydro-1H-isoquinoline (CID 142001874) is methanol;2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for methanol;2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for methanol;2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1.CO.
What is the InChIKey of methanol;2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WGFZDHJEFCPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.CH4O/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-5H,6-8H2,1H3;2H,1H3.
What are the key properties of methanol;2-methyl-3,4-dihydro-1H-isoquinoline?
methanol;2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 179.26 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142001874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).