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

C19H18Br2ClNO — CID 17213093

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1.Cl
InChIInChI=1S/C19H17Br2NO.ClH/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;1H
InChIKeyQGEZWRVBTRUIEL-UHFFFAOYSA-N
MW471.62 g/mol
LogP6.49
Rot. Bonds5

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

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride (PubChem CID 17213093) has the molecular formula C19H18Br2ClNO and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
PubChem CID17213093
Molecular FormulaC19H18Br2ClNO
Molecular Weight471.62 g/mol
Exact Mass468.94
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1.Cl
InChIInChI=1S/C19H17Br2NO.ClH/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;1H
InChIKeyQGEZWRVBTRUIEL-UHFFFAOYSA-N
XLogP6.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.62
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-pyridin-4-ylmethanamine
CID 17213116
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
1-(1,3-benzodioxol-5-yl)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]methanamine
CID 17056439
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
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride (CID 17213093) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride is Cc1ccc(CNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1.Cl.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The InChIKey is QGEZWRVBTRUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO.ClH/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;1H.
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride has a molecular weight of 471.62 g/mol, XLogP of 6.49, 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;hydrochloride is sourced from PubChem (CID 17213093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).