2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine

C15H18BrN — CID 14607

IUPAC2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCCN(CCBr)Cc1cccc2ccccc12
InChIInChI=1S/C15H18BrN/c1-2-17(11-10-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3
InChIKeyNQXKEZOQGPYBND-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.06
Rot. Bonds5

About 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine

2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 14607) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID14607
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCCN(CCBr)Cc1cccc2ccccc12
InChIInChI=1S/C15H18BrN/c1-2-17(11-10-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3
InChIKeyNQXKEZOQGPYBND-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine (CID 14607) is 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine is CCN(CCBr)Cc1cccc2ccccc12.
What is the InChIKey of 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is NQXKEZOQGPYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-2-17(11-10-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine?
2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 292.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 14607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).