1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine

C18H15BrFN — CID 63528397

IUPAC1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C18H15BrFN/c19-16-9-15(10-17(20)11-16)18(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,18H,8,21H2
InChIKeyLKTOZDOOUWRKGN-UHFFFAOYSA-N
MW344.23 g/mol
LogP4.98
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine

1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine (PubChem CID 63528397) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
PubChem CID63528397
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C18H15BrFN/c19-16-9-15(10-17(20)11-16)18(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,18H,8,21H2
InChIKeyLKTOZDOOUWRKGN-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
CID 105118863
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine (CID 63528397) is 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine is NC(Cc1ccc2ccccc2c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine?
The InChIKey is LKTOZDOOUWRKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c19-16-9-15(10-17(20)11-16)18(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,18H,8,21H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine?
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine has a molecular weight of 344.23 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 63528397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).