2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C24H25NO — CID 53474649

IUPAC2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25NO/c1-25-15-14-21-11-5-6-13-23(21)24(25)17-20-10-7-12-22(16-20)26-18-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3
InChIKeyFGQHHPJIPPMGRX-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.04
Rot. Bonds5

About 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 53474649) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID53474649
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25NO/c1-25-15-14-21-11-5-6-13-23(21)24(25)17-20-10-7-12-22(16-20)26-18-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3
InChIKeyFGQHHPJIPPMGRX-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6,7-bis(phenylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 14278314
1-benzyl-2-methyl-1,3,4,5-tetrahydro-2-benzazepine;ethane;methoxymethane
CID 90792425
(1R)-6,7-dimethoxy-1-[[3-[[(1S)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4-phenylmethoxyphenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 71531017
1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
CID 1238859
[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane
CID 138963558
3-(3-phenoxypropyl)-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 52949731
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 53474649) is 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FGQHHPJIPPMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-25-15-14-21-11-5-6-13-23(21)24(25)17-20-10-7-12-22(16-20)26-18-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3.
What are the key properties of 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 343.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 53474649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).