N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine

C19H17Br2NO — CID 17213094

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1
InChIInChI=1S/C19H17Br2NO/c1-13-2-4-14(5-3-13)11-22-12-16-7-9-19(23-16)17-8-6-15(20)10-18(17)21/h2-10,22H,11-12H2,1H3
InChIKeyKJYGYQFOOUTMEJ-UHFFFAOYSA-N
MW435.16 g/mol
LogP6.07
Rot. Bonds5

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

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 17213094) has the molecular formula C19H17Br2NO and a molecular weight of 435.16 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID17213094
Molecular FormulaC19H17Br2NO
Molecular Weight435.16 g/mol
Exact Mass432.97
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1
InChIInChI=1S/C19H17Br2NO/c1-13-2-4-14(5-3-13)11-22-12-16-7-9-19(23-16)17-8-6-15(20)10-18(17)21/h2-10,22H,11-12H2,1H3
InChIKeyKJYGYQFOOUTMEJ-UHFFFAOYSA-N
XLogP6.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.16
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine (CID 17213094) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is KJYGYQFOOUTMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO/c1-13-2-4-14(5-3-13)11-22-12-16-7-9-19(23-16)17-8-6-15(20)10-18(17)21/h2-10,22H,11-12H2,1H3.
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 435.16 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 17213094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).