[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol

C20H23NO — CID 18685799

IUPAC[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol
SMILESCc1cc(C)cc(C2=NC(CO)Cc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H23NO/c1-12-5-13(2)7-17(6-12)20-19-9-15(4)14(3)8-16(19)10-18(11-22)21-20/h5-9,18,22H,10-11H2,1-4H3
InChIKeyMJTSWFBYLQTJLY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.67
Rot. Bonds2

About [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol

[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol (PubChem CID 18685799) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol
PubChem CID18685799
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol
SMILESCc1cc(C)cc(C2=NC(CO)Cc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H23NO/c1-12-5-13(2)7-17(6-12)20-19-9-15(4)14(3)8-16(19)10-18(11-22)21-20/h5-9,18,22H,10-11H2,1-4H3
InChIKeyMJTSWFBYLQTJLY-UHFFFAOYSA-N
XLogP3.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
3-(Hydroxymethyl)-3,4-di-hydroisoquinoline
CID 18663695
[6-(4-Fluorophenyl)-3,4-dihydroisoquinolin-1-yl]methanol
CID 164004263
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
CID 12712295
1-(4-Methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961414
5-(2,5-Dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol
CID 132961415
1-(2,5-Dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961416
[(3S)-3,4-dihydroisoquinolin-3-yl]methanol
CID 10374731
(2R)-2-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-phenylethanol
CID 11380086
2-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
CID 13069558
2-(3,4-Dihydroisoquinolin-1-yl)ethanol
CID 20200544
3-(2-Hydroxy)ethyl 1-phenyl 3,4-dihydro isoquinoline hydrochloride
CID 20500932

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol?
The IUPAC name of [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol (CID 18685799) is [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol?
The canonical SMILES for [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol is Cc1cc(C)cc(C2=NC(CO)Cc3cc(C)c(C)cc32)c1.
What is the InChIKey of [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol?
The InChIKey is MJTSWFBYLQTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-12-5-13(2)7-17(6-12)20-19-9-15(4)14(3)8-16(19)10-18(11-22)21-20/h5-9,18,22H,10-11H2,1-4H3.
What are the key properties of [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol?
[1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 18685799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).