1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine

C18H21BrN2 — CID 104557368

IUPAC1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
SMILESCN(Cc1ccccc1Br)Cc1cccc2c1CCNC2
InChIInChI=1S/C18H21BrN2/c1-21(13-16-5-2-3-8-18(16)19)12-15-7-4-6-14-11-20-10-9-17(14)15/h2-8,20H,9-13H2,1H3
InChIKeyZGPCCQCLMOZZMV-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine

1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine (PubChem CID 104557368) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
PubChem CID104557368
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
SMILESCN(Cc1ccccc1Br)Cc1cccc2c1CCNC2
InChIInChI=1S/C18H21BrN2/c1-21(13-16-5-2-3-8-18(16)19)12-15-7-4-6-14-11-20-10-9-17(14)15/h2-8,20H,9-13H2,1H3
InChIKeyZGPCCQCLMOZZMV-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[[methyl(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 105421361
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557392
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethane-1,2-diamine
CID 104557446
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449
N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
CID 104557435
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423
2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 116679583
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine (CID 104557368) is 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine is CN(Cc1ccccc1Br)Cc1cccc2c1CCNC2.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine?
The InChIKey is ZGPCCQCLMOZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-21(13-16-5-2-3-8-18(16)19)12-15-7-4-6-14-11-20-10-9-17(14)15/h2-8,20H,9-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine?
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine has a molecular weight of 345.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 104557368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).