6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine

C11H13ClN2 — CID 141184088

IUPAC6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
SMILESCN(C)C1=NCCc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2/c1-14(2)11-10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPPOFFCUZGNKCRD-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.20
Rot. Bonds

About 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine

6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 141184088) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
PubChem CID141184088
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
SMILESCN(C)C1=NCCc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2/c1-14(2)11-10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPPOFFCUZGNKCRD-UHFFFAOYSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-N,N'-dimethylbenzene-1-carboximidamide--hydrogen chloride (1/1)
CID 3027144
5-(3-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378955
6-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10685259
5-(4-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10265702
3-(4-Chloro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785914
1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine
CID 10016762
1-((4-Chlorophenyl)(methylimino)methyl)piperidine monohydrochloride
CID 3049230
3-[2-(4-Chlorophenyl)ethylimino]isoindol-1-amine
CID 44327930
4-chloro-N,N'-dimethylbenzenecarboximidamide
CID 3027145
7-chloro-1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
CID 20242636
1-(3-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
CID 20242643
(5-chloro-2-methylphenyl)-N,N-dimethylmethanamine
CID 12467519

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine (CID 141184088) is 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine is CN(C)C1=NCCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is PPOFFCUZGNKCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-14(2)11-10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine?
6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 208.69 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 141184088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).