(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C20H23NO2 — CID 123901612

IUPAC(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOCC1Cc2ccccc2CN1C(=O)c1cccc(C)c1C
InChIInChI=1S/C20H23NO2/c1-14-7-6-10-19(15(14)2)20(22)21-12-17-9-5-4-8-16(17)11-18(21)13-23-3/h4-10,18H,11-13H2,1-3H3
InChIKeyHLLLYFIRBDQAGZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.52
Rot. Bonds3

About (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 123901612) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID123901612
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOCC1Cc2ccccc2CN1C(=O)c1cccc(C)c1C
InChIInChI=1S/C20H23NO2/c1-14-7-6-10-19(15(14)2)20(22)21-12-17-9-5-4-8-16(17)11-18(21)13-23-3/h4-10,18H,11-13H2,1-3H3
InChIKeyHLLLYFIRBDQAGZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70694153
[3-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70685793
1-[2-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methyl-N,N-diphenylpyrazole-3-carboxamide
CID 75073410
(2-amino-5-methoxy-4-phenylmethoxyphenyl)-[(3S)-3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 139573173
[3-[(5-methoxypyrimidin-2-yl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123968170
naphthalen-1-yl-[3-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123937571
[3-[[4-(2-methylpropoxy)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123703793
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
[3-[[4-(diethylamino)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123486085
2-[(3S)-2-(4-cyano-2-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid
CID 166310442
[(3S)-3-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 118219448
naphthalen-1-yl-[3-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 144882573

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 123901612) is (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COCC1Cc2ccccc2CN1C(=O)c1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is HLLLYFIRBDQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-7-6-10-19(15(14)2)20(22)21-12-17-9-5-4-8-16(17)11-18(21)13-23-3/h4-10,18H,11-13H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 123901612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).