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

C15H16Br2FNO — CID 106858311

IUPACN-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Br)c1ccoc1Br
InChIInChI=1S/C15H16Br2FNO/c1-2-7-19-13(11-6-8-20-15(11)17)9-10-4-3-5-12(18)14(10)16/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyWQQCMVBTHVHQBR-UHFFFAOYSA-N
MW405.11 g/mol
LogP5.23
Rot. Bonds6

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

N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine (PubChem CID 106858311) has the molecular formula C15H16Br2FNO and a molecular weight of 405.11 g/mol. Its IUPAC name is N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
PubChem CID106858311
Molecular FormulaC15H16Br2FNO
Molecular Weight405.11 g/mol
Exact Mass402.96
IUPAC NameN-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Br)c1ccoc1Br
InChIInChI=1S/C15H16Br2FNO/c1-2-7-19-13(11-6-8-20-15(11)17)9-10-4-3-5-12(18)14(10)16/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyWQQCMVBTHVHQBR-UHFFFAOYSA-N
XLogP5.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.11
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
N-[2-(2-bromo-3-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107968822
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
N-[2-(2-bromo-3-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 105020320
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine (CID 106858311) is N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1Br)c1ccoc1Br.
What is the InChIKey of N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine?
The InChIKey is WQQCMVBTHVHQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FNO/c1-2-7-19-13(11-6-8-20-15(11)17)9-10-4-3-5-12(18)14(10)16/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine has a molecular weight of 405.11 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).