N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

C15H16BrF2NO — CID 105412533

IUPACN-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrF2NO/c1-2-5-19-13(14-3-4-15(16)20-14)8-10-6-11(17)9-12(18)7-10/h3-4,6-7,9,13,19H,2,5,8H2,1H3
InChIKeyXMEQXOVJVBCFHL-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 105412533) has the molecular formula C15H16BrF2NO and a molecular weight of 344.20 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID105412533
Molecular FormulaC15H16BrF2NO
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC NameN-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrF2NO/c1-2-5-19-13(14-3-4-15(16)20-14)8-10-6-11(17)9-12(18)7-10/h3-4,6-7,9,13,19H,2,5,8H2,1H3
InChIKeyXMEQXOVJVBCFHL-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406037
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 106462211
N-[2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105015509

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (CID 105412533) is N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is XMEQXOVJVBCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NO/c1-2-5-19-13(14-3-4-15(16)20-14)8-10-6-11(17)9-12(18)7-10/h3-4,6-7,9,13,19H,2,5,8H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 344.20 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105412533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).