N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine

C17H14Br2N2O — CID 17213116

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1ccc(-c2ccc(CNCc3ccncc3)o2)c(Br)c1
InChIInChI=1S/C17H14Br2N2O/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12/h1-9,21H,10-11H2
InChIKeySVIYODSDOWRUPO-UHFFFAOYSA-N
MW422.12 g/mol
LogP5.16
Rot. Bonds5

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

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 17213116) has the molecular formula C17H14Br2N2O and a molecular weight of 422.12 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID17213116
Molecular FormulaC17H14Br2N2O
Molecular Weight422.12 g/mol
Exact Mass419.95
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1ccc(-c2ccc(CNCc3ccncc3)o2)c(Br)c1
InChIInChI=1S/C17H14Br2N2O/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12/h1-9,21H,10-11H2
InChIKeySVIYODSDOWRUPO-UHFFFAOYSA-N
XLogP5.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.12
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031
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-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
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-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine (CID 17213116) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine is Brc1ccc(-c2ccc(CNCc3ccncc3)o2)c(Br)c1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is SVIYODSDOWRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12/h1-9,21H,10-11H2.
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 422.12 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 17213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).