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

C11H17N — CID 161283116

IUPACmethane;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESC.CN1CCc2ccccc2C1
InChIInChI=1S/C10H13N.CH4/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H4
InChIKeyVFIVEAHTQOTSNY-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.31
Rot. Bonds

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

methane;2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 161283116) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is methane;2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Namemethane;2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID161283116
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Namemethane;2-methyl-3,4-dihydro-1H-isoquinoline
SMILESC.CN1CCc2ccccc2C1
InChIInChI=1S/C10H13N.CH4/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H4
InChIKeyVFIVEAHTQOTSNY-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
5-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 15179871
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of methane;2-methyl-3,4-dihydro-1H-isoquinoline (CID 161283116) is methane;2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for methane;2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for methane;2-methyl-3,4-dihydro-1H-isoquinoline is C.CN1CCc2ccccc2C1.
What is the InChIKey of methane;2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VFIVEAHTQOTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.CH4/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H4.
What are the key properties of methane;2-methyl-3,4-dihydro-1H-isoquinoline?
methane;2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 163.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 161283116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).