2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine

C18H15BrFN — CID 63416624

IUPAC2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c19-16-9-12(5-8-17(16)20)10-18(21)15-7-6-13-3-1-2-4-14(13)11-15/h1-9,11,18H,10,21H2
InChIKeyZIHNAINMFQXOPY-UHFFFAOYSA-N
MW344.23 g/mol
LogP4.98
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine

2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine (PubChem CID 63416624) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
PubChem CID63416624
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c19-16-9-12(5-8-17(16)20)10-18(21)15-7-6-13-3-1-2-4-14(13)11-15/h1-9,11,18H,10,21H2
InChIKeyZIHNAINMFQXOPY-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-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
3-(3-bromo-4-fluorophenyl)-1-phenylpropan-1-amine
CID 43175857
2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 63410648

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine (CID 63416624) is 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine is NC(Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine?
The InChIKey is ZIHNAINMFQXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c19-16-9-12(5-8-17(16)20)10-18(21)15-7-6-13-3-1-2-4-14(13)11-15/h1-9,11,18H,10,21H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine?
2-(3-bromo-4-fluorophenyl)-1-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 2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 63416624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).