2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine

C14H14BrFN2O — CID 105065429

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c1-19-14-8-18-5-4-11(14)13(17)6-9-2-3-10(15)7-12(9)16/h2-5,7-8,13H,6,17H2,1H3
InChIKeyDURVOUKDCQIJLV-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine (PubChem CID 105065429) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
PubChem CID105065429
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c1-19-14-8-18-5-4-11(14)13(17)6-9-2-3-10(15)7-12(9)16/h2-5,7-8,13H,6,17H2,1H3
InChIKeyDURVOUKDCQIJLV-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754
2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115844681

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine (CID 105065429) is 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine is COc1cnccc1C(N)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The InChIKey is DURVOUKDCQIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-19-14-8-18-5-4-11(14)13(17)6-9-2-3-10(15)7-12(9)16/h2-5,7-8,13H,6,17H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 105065429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).