(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C18H19NO2 — CID 116612565

IUPAC(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2CCNC3)c(C)c1
InChIInChI=1S/C18H19NO2/c1-12-10-14(21-2)6-7-15(12)18(20)17-5-3-4-13-11-19-9-8-16(13)17/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeySPDJBTIMKJHHNO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 116612565) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID116612565
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2CCNC3)c(C)c1
InChIInChI=1S/C18H19NO2/c1-12-10-14(21-2)6-7-15(12)18(20)17-5-3-4-13-11-19-9-8-16(13)17/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeySPDJBTIMKJHHNO-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 107515016
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
(2,4-difluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612505
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558486
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 116612565) is (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is COc1ccc(C(=O)c2cccc3c2CCNC3)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is SPDJBTIMKJHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-10-14(21-2)6-7-15(12)18(20)17-5-3-4-13-11-19-9-8-16(13)17/h3-7,10,19H,8-9,11H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 116612565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).