1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine

C17H25BrN2 — CID 70150183

IUPAC1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCc3cc(Br)ccc3C2)CCCCC1
InChIInChI=1S/C17H25BrN2/c18-16-5-4-15-13-20(10-6-14(15)12-16)11-9-17(19)7-2-1-3-8-17/h4-5,12H,1-3,6-11,13,19H2
InChIKeyVOVLKGGJTZVGKX-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.86
Rot. Bonds3

About 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine

1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 70150183) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
PubChem CID70150183
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCc3cc(Br)ccc3C2)CCCCC1
InChIInChI=1S/C17H25BrN2/c18-16-5-4-15-13-20(10-6-14(15)12-16)11-9-17(19)7-2-1-3-8-17/h4-5,12H,1-3,6-11,13,19H2
InChIKeyVOVLKGGJTZVGKX-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine (CID 70150183) is 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine is NC1(CCN2CCc3cc(Br)ccc3C2)CCCCC1.
What is the InChIKey of 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VOVLKGGJTZVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-16-5-4-15-13-20(10-6-14(15)12-16)11-9-17(19)7-2-1-3-8-17/h4-5,12H,1-3,6-11,13,19H2.
What are the key properties of 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 337.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 70150183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).