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

C16H17NO — CID 166626286

IUPAC2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C16H17NO/c1-17-10-9-13-11-16(8-7-14(13)12-17)18-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyDRRVXAMABUAZDH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.47
Rot. Bonds2

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

2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 166626286) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
PubChem CID166626286
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C16H17NO/c1-17-10-9-13-11-16(8-7-14(13)12-17)18-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyDRRVXAMABUAZDH-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Drotaverine
CID 1712095
Laudanosine
CID 73397
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
(+-)-Laudanosine
CID 15548
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 39356
7-Methoxy-1,2,3,4-Tetrahydroisoquinoline
CID 417288
Csh 068
CID 259676
5,8,13,13a-Tetrahydro-2,3,10,11-tetramethoxy-6H-dibenzo(a,g)quinolizine
CID 10653
Methoxydine
CID 15100753
4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)Phenol
CID 98348
Carnegine
CID 22646
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride
CID 3057765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline (CID 166626286) is 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(Oc3ccccc3)ccc2C1.
What is the InChIKey of 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is DRRVXAMABUAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-10-9-13-11-16(8-7-14(13)12-17)18-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline?
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 239.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166626286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).