2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

C18H16BrNO — CID 63803686

IUPAC2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C18H16BrNO/c19-18-16-4-2-1-3-14(16)7-10-17(18)21-15-8-5-13(6-9-15)11-12-20/h1-10H,11-12,20H2
InChIKeyFTOXLOSFKFLLKE-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.90
Rot. Bonds4

About 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (PubChem CID 63803686) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
PubChem CID63803686
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C18H16BrNO/c19-18-16-4-2-1-3-14(16)7-10-17(18)21-15-8-5-13(6-9-15)11-12-20/h1-10H,11-12,20H2
InChIKeyFTOXLOSFKFLLKE-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (CID 63803686) is 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is NCCc1ccc(Oc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The InChIKey is FTOXLOSFKFLLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-18-16-4-2-1-3-14(16)7-10-17(18)21-15-8-5-13(6-9-15)11-12-20/h1-10H,11-12,20H2.
What are the key properties of 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 63803686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).