2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine

C13H19ClN2 — CID 110456896

IUPAC2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3
InChIKeyKUBWDMUOWDCRMF-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine

2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine (PubChem CID 110456896) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
PubChem CID110456896
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3
InChIKeyKUBWDMUOWDCRMF-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 95932457
2-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-prop-2-enylguanidine
CID 137159160
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
cis-(1R,3S)-3-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066835
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
2-(azepan-1-ylsulfonyl)-5-chloro-3,4-dihydro-1H-isoquinoline
CID 131928265
5-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120900283
3-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]furan-2-carboxylic acid
CID 146134927
1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 91783558
2-(1-benzofuran-6-ylmethyl)-5-chloro-3,4-dihydro-1H-isoquinoline
CID 142556368
N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 86343744
N,N-dimethyl-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanamine
CID 134555279

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine (CID 110456896) is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine is CN(C)CCN1CCc2c(Cl)cccc2C1.
What is the InChIKey of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
The InChIKey is KUBWDMUOWDCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15(2)8-9-16-7-6-12-11(10-16)4-3-5-13(12)14/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine?
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 110456896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).