N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine

C13H13Br2NO — CID 115692983

IUPACN-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)c(Br)c1)c1ccco1
InChIInChI=1S/C13H13Br2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3
InChIKeyHRJBLZAVGAEXTL-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.66
Rot. Bonds4

About N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine

N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 115692983) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID115692983
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)c(Br)c1)c1ccco1
InChIInChI=1S/C13H13Br2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3
InChIKeyHRJBLZAVGAEXTL-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81437435
(1R)-N-[(4-bromo-3-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 114076601
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1R)-N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403651
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine (CID 115692983) is N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine is CC(NCc1ccc(Br)c(Br)c1)c1ccco1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is HRJBLZAVGAEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine?
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 359.06 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 115692983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).