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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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).