2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C12H17ClN2O — CID 82279846

IUPAC2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCOc1cc2c(cc1Cl)CN(CCN)CC2
InChIInChI=1S/C12H17ClN2O/c1-16-12-7-9-2-4-15(5-3-14)8-10(9)6-11(12)13/h6-7H,2-5,8,14H2,1H3
InChIKeyHKVANWZFNNYJAC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.67
Rot. Bonds3

About 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 82279846) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID82279846
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCOc1cc2c(cc1Cl)CN(CCN)CC2
InChIInChI=1S/C12H17ClN2O/c1-16-12-7-9-2-4-15(5-3-14)8-10(9)6-11(12)13/h6-7H,2-5,8,14H2,1H3
InChIKeyHKVANWZFNNYJAC-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279849
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 27197013
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
1-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 64819613
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-amine
CID 79811611
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
CID 64791802
6,7-dimethoxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 162476741

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 82279846) is 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is COc1cc2c(cc1Cl)CN(CCN)CC2.
What is the InChIKey of 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is HKVANWZFNNYJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-12-7-9-2-4-15(5-3-14)8-10(9)6-11(12)13/h6-7H,2-5,8,14H2,1H3.
What are the key properties of 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 240.73 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 82279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).