2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

C17H19BrN2 — CID 104802640

IUPAC2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H19BrN2/c18-16-7-12(10-20-11-16)8-17(19)15-6-5-13-3-1-2-4-14(13)9-15/h1-4,7,10-11,15,17H,5-6,8-9,19H2
InChIKeyNPESGFQMJRMHNF-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 104802640) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID104802640
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H19BrN2/c18-16-7-12(10-20-11-16)8-17(19)15-6-5-13-3-1-2-4-14(13)9-15/h1-4,7,10-11,15,17H,5-6,8-9,19H2
InChIKeyNPESGFQMJRMHNF-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)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

2-pyridin-3-yl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104736415
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581
2-(3-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404575
1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 91218484
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65403993
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (CID 104802640) is 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is NC(Cc1cncc(Br)c1)C1CCc2ccccc2C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is NPESGFQMJRMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-16-7-12(10-20-11-16)8-17(19)15-6-5-13-3-1-2-4-14(13)9-15/h1-4,7,10-11,15,17H,5-6,8-9,19H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 331.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 104802640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).