2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C19H20Cl2N2O — CID 15697356

IUPAC2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCNCC1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O/c1-22-12-18-15-5-3-2-4-14(15)8-9-23(18)19(24)11-13-6-7-16(20)17(21)10-13/h2-7,10,18,22H,8-9,11-12H2,1H3
InChIKeyFEDPGNYQAWCUTK-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.88
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 15697356) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID15697356
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCNCC1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O/c1-22-12-18-15-5-3-2-4-14(15)8-9-23(18)19(24)11-13-6-7-16(20)17(21)10-13/h2-7,10,18,22H,8-9,11-12H2,1H3
InChIKeyFEDPGNYQAWCUTK-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 15697356) is 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is CNCC1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is FEDPGNYQAWCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-22-12-18-15-5-3-2-4-14(15)8-9-23(18)19(24)11-13-6-7-16(20)17(21)10-13/h2-7,10,18,22H,8-9,11-12H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 363.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 15697356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).