N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine

C13H13Br2NO — CID 63943224

IUPACN-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C13H13Br2NO/c1-2-16-12(13-11(15)6-7-17-13)9-4-3-5-10(14)8-9/h3-8,12,16H,2H2,1H3
InChIKeyBBDGFWMAEBDCIR-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.50
Rot. Bonds4

About N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine (PubChem CID 63943224) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
PubChem CID63943224
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC NameN-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C13H13Br2NO/c1-2-16-12(13-11(15)6-7-17-13)9-4-3-5-10(14)8-9/h3-8,12,16H,2H2,1H3
InChIKeyBBDGFWMAEBDCIR-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.06
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115861624
N-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 115861367
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine (CID 63943224) is N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine?
The InChIKey is BBDGFWMAEBDCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-2-16-12(13-11(15)6-7-17-13)9-4-3-5-10(14)8-9/h3-8,12,16H,2H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine has a molecular weight of 359.06 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 63943224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).