2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine

C19H21BrN2 — CID 3068656

IUPAC2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2Br)=N1
InChIInChI=1S/C19H21BrN2/c1-22(2)12-11-15-13-14-7-3-4-8-16(14)19(21-15)17-9-5-6-10-18(17)20/h3-10,15H,11-13H2,1-2H3
InChIKeyIPILEUOYGYHZIA-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.16
Rot. Bonds4

About 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine

2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine (PubChem CID 3068656) has the molecular formula C19H21BrN2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
PubChem CID3068656
Molecular FormulaC19H21BrN2
Molecular Weight357.30 g/mol
Exact Mass356.09
IUPAC Name2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2Br)=N1
InChIInChI=1S/C19H21BrN2/c1-22(2)12-11-15-13-14-7-3-4-8-16(14)19(21-15)17-9-5-6-10-18(17)20/h3-10,15H,11-13H2,1-2H3
InChIKeyIPILEUOYGYHZIA-UHFFFAOYSA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
CID 3068603
N,N-Dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethan-1-amine--hydrogen chloride (1/2)
CID 3068619
3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(4-methylphenyl)-, hydrochloride, hydrate (1:2:1)
CID 3068649
3-Isoquinolineethanamine, 3,4-dihydro-1-(2-bromophenyl)-N,N-dimethyl-, dihydrochloride
CID 3068655
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
CID 3068620
5-Bromo-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline
CID 59536292
1-(4-Bromophenyl)-2-(2-fluoro-2-methylpropyl)-6-methyl-3,4-dihydroisoquinolin-2-ium
CID 146860780
N-[2-(2-bromophenyl)ethyl]-1-phenylethanimine
CID 85785852
N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine
CID 134879976
N-[(2R)-1-(2-bromophenyl)propan-2-yl]-1,1-diphenylmethanimine
CID 134879977

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine (CID 3068656) is 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine is CN(C)CCC1Cc2ccccc2C(c2ccccc2Br)=N1.
What is the InChIKey of 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine?
The InChIKey is IPILEUOYGYHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2/c1-22(2)12-11-15-13-14-7-3-4-8-16(14)19(21-15)17-9-5-6-10-18(17)20/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine?
2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine has a molecular weight of 357.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 3068656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).