2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

C13H18BrN — CID 114505328

IUPAC2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESBrCCNCC1CCCc2ccccc21
InChIInChI=1S/C13H18BrN/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12,15H,3,5-6,8-10H2
InChIKeySGAVPUJYKSQDOT-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.09
Rot. Bonds4

About 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 114505328) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID114505328
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESBrCCNCC1CCCc2ccccc21
InChIInChI=1S/C13H18BrN/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12,15H,3,5-6,8-10H2
InChIKeySGAVPUJYKSQDOT-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine 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

6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromoethanamine
CID 114505182
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 114505328) is 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is BrCCNCC1CCCc2ccccc21.
What is the InChIKey of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is SGAVPUJYKSQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7,12,15H,3,5-6,8-10H2.
What are the key properties of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 114505328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).