N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine

C16H19BrFNO — CID 104790489

IUPACN-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)c1ccoc1C
InChIInChI=1S/C16H19BrFNO/c1-3-7-19-16(14-6-8-20-11(14)2)9-12-4-5-13(17)10-15(12)18/h4-6,8,10,16,19H,3,7,9H2,1-2H3
InChIKeyVTDGEVTVAUMEHE-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.77
Rot. Bonds6

About N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine

N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 104790489) has the molecular formula C16H19BrFNO and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID104790489
Molecular FormulaC16H19BrFNO
Molecular Weight340.24 g/mol
Exact Mass339.06
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)c1ccoc1C
InChIInChI=1S/C16H19BrFNO/c1-3-7-19-16(14-6-8-20-11(14)2)9-12-4-5-13(17)10-15(12)18/h4-6,8,10,16,19H,3,7,9H2,1-2H3
InChIKeyVTDGEVTVAUMEHE-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115839286
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 43495287
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine (CID 104790489) is N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1F)c1ccoc1C.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is VTDGEVTVAUMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO/c1-3-7-19-16(14-6-8-20-11(14)2)9-12-4-5-13(17)10-15(12)18/h4-6,8,10,16,19H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).