2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

C17H19NO — CID 18695699

IUPAC2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C17H19NO/c1-18-10-9-15-11-17(8-7-16(15)12-18)19-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyWOONOUCKQQBBOC-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 18695699) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID18695699
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C17H19NO/c1-18-10-9-15-11-17(8-7-16(15)12-18)19-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyWOONOUCKQQBBOC-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (CID 18695699) is 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(OCc3ccccc3)ccc2C1.
What is the InChIKey of 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is WOONOUCKQQBBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-10-9-15-11-17(8-7-16(15)12-18)19-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18695699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).