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

C10H13N — CID 15362

IUPAC2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1
InChIInChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
InChIKeyKYXSVGVQGFPNRQ-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.67
Rot. Bonds

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

2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 15362) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID15362
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1
InChIInChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
InChIKeyKYXSVGVQGFPNRQ-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline (CID 15362) is 2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is KYXSVGVQGFPNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinoline?
2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 147.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).