N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine

C17H21BrFNO — CID 115839286

IUPACN-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1cc(C)oc1C
InChIInChI=1S/C17H21BrFNO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3
InChIKeyAQAIAWVACVOPKZ-UHFFFAOYSA-N
MW354.26 g/mol
LogP5.08
Rot. Bonds6

About N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine

N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 115839286) has the molecular formula C17H21BrFNO and a molecular weight of 354.26 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
PubChem CID115839286
Molecular FormulaC17H21BrFNO
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1cc(C)oc1C
InChIInChI=1S/C17H21BrFNO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3
InChIKeyAQAIAWVACVOPKZ-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.26
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105051030
N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115863050
N-[2-(5-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115839298
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107968094
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 63504146
N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790489
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61065242
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
N-[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132035
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63412592

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (CID 115839286) is N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)ccc1F)c1cc(C)oc1C.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is AQAIAWVACVOPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 354.26 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115839286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).