2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine

C14H15BrFNO — CID 115844529

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ccc(Br)cc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-2-11-5-6-14(18-11)13(17)7-9-3-4-10(15)8-12(9)16/h3-6,8,13H,2,7,17H2,1H3
InChIKeyVVDVUMRBLUWTRR-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 115844529) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID115844529
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2ccc(Br)cc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-2-11-5-6-14(18-11)13(17)7-9-3-4-10(15)8-12(9)16/h3-6,8,13H,2,7,17H2,1H3
InChIKeyVVDVUMRBLUWTRR-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
CID 61000121
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine (CID 115844529) is 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine is CCc1ccc(C(N)Cc2ccc(Br)cc2F)o1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is VVDVUMRBLUWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-2-11-5-6-14(18-11)13(17)7-9-3-4-10(15)8-12(9)16/h3-6,8,13H,2,7,17H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 312.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 115844529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).