2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine

C19H21Br2NO — CID 17210373

IUPAC2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
SMILESBrc1ccc(-c2ccc(CNCCC3=CCCCC3)o2)c(Br)c1
InChIInChI=1S/C19H21Br2NO/c20-15-6-8-17(18(21)12-15)19-9-7-16(23-19)13-22-11-10-14-4-2-1-3-5-14/h4,6-9,12,22H,1-3,5,10-11,13H2
InChIKeyMGRYKBGMDBDIOJ-UHFFFAOYSA-N
MW439.19 g/mol
LogP6.45
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine (PubChem CID 17210373) has the molecular formula C19H21Br2NO and a molecular weight of 439.19 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
PubChem CID17210373
Molecular FormulaC19H21Br2NO
Molecular Weight439.19 g/mol
Exact Mass437.00
IUPAC Name2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
SMILESBrc1ccc(-c2ccc(CNCCC3=CCCCC3)o2)c(Br)c1
InChIInChI=1S/C19H21Br2NO/c20-15-6-8-17(18(21)12-15)19-9-7-16(23-19)13-22-11-10-14-4-2-1-3-5-14/h4,6-9,12,22H,1-3,5,10-11,13H2
InChIKeyMGRYKBGMDBDIOJ-UHFFFAOYSA-N
XLogP6.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.19
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 17213116
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine (CID 17210373) is 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine is Brc1ccc(-c2ccc(CNCCC3=CCCCC3)o2)c(Br)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is MGRYKBGMDBDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO/c20-15-6-8-17(18(21)12-15)19-9-7-16(23-19)13-22-11-10-14-4-2-1-3-5-14/h4,6-9,12,22H,1-3,5,10-11,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 439.19 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 17210373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).