1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine

C12H10BrF2NO — CID 105030226

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H10BrF2NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2
InChIKeyYPBLSVQBJOBCBF-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine (PubChem CID 105030226) has the molecular formula C12H10BrF2NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
PubChem CID105030226
Molecular FormulaC12H10BrF2NO
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H10BrF2NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2
InChIKeyYPBLSVQBJOBCBF-UHFFFAOYSA-N
XLogP3.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 105030036
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine (CID 105030226) is 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine is NC(Cc1ccoc1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine?
The InChIKey is YPBLSVQBJOBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine has a molecular weight of 302.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 105030226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).