2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

C18H16BrNO — CID 63941373

IUPAC2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C18H16BrNO/c19-18-16-7-2-1-5-14(16)8-9-17(18)21-15-6-3-4-13(12-15)10-11-20/h1-9,12H,10-11,20H2
InChIKeyUUERSDZBURFWMY-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.90
Rot. Bonds4

About 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (PubChem CID 63941373) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
PubChem CID63941373
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESNCCc1cccc(Oc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C18H16BrNO/c19-18-16-7-2-1-5-14(16)8-9-17(18)21-15-6-3-4-13(12-15)10-11-20/h1-9,12H,10-11,20H2
InChIKeyUUERSDZBURFWMY-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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Related Compounds

2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63803686
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63532585
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (CID 63941373) is 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is NCCc1cccc(Oc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The InChIKey is UUERSDZBURFWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-18-16-7-2-1-5-14(16)8-9-17(18)21-15-6-3-4-13(12-15)10-11-20/h1-9,12H,10-11,20H2.
What are the key properties of 2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
2-[3-(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-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 63941373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).