N-[(4-bromonaphthalen-2-yl)methyl]ethanamine

C13H14BrN — CID 54171502

IUPACN-[(4-bromonaphthalen-2-yl)methyl]ethanamine
SMILESCCNCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C13H14BrN/c1-2-15-9-10-7-11-5-3-4-6-12(11)13(14)8-10/h3-8,15H,2,9H2,1H3
InChIKeyFQWJHDICKXWRAT-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.71
Rot. Bonds3

About N-[(4-bromonaphthalen-2-yl)methyl]ethanamine

N-[(4-bromonaphthalen-2-yl)methyl]ethanamine (PubChem CID 54171502) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-2-yl)methyl]ethanamine
PubChem CID54171502
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC NameN-[(4-bromonaphthalen-2-yl)methyl]ethanamine
SMILESCCNCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C13H14BrN/c1-2-15-9-10-7-11-5-3-4-6-12(11)13(14)8-10/h3-8,15H,2,9H2,1H3
InChIKeyFQWJHDICKXWRAT-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromonaphthalen-2-yl)methyl]ethanamine (CID 54171502) is N-[(4-bromonaphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromonaphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromonaphthalen-2-yl)methyl]ethanamine is CCNCc1cc(Br)c2ccccc2c1.
What is the InChIKey of N-[(4-bromonaphthalen-2-yl)methyl]ethanamine?
The InChIKey is FQWJHDICKXWRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-2-15-9-10-7-11-5-3-4-6-12(11)13(14)8-10/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(4-bromonaphthalen-2-yl)methyl]ethanamine?
N-[(4-bromonaphthalen-2-yl)methyl]ethanamine has a molecular weight of 264.17 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 54171502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).