benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium

C18H17BrNO+ — CID 8622876

IUPACbenzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
SMILESBrc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1
InChIInChI=1S/C18H16BrNO/c19-16-8-6-15(7-9-16)18-11-10-17(21-18)13-20-12-14-4-2-1-3-5-14/h1-11,20H,12-13H2/p+1
InChIKeySMCMDCBYSNGJOQ-UHFFFAOYSA-O
MW343.24 g/mol
LogP3.97
Rot. Bonds5

About benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium

benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622876) has the molecular formula C18H17BrNO+ and a molecular weight of 343.24 g/mol. Its IUPAC name is benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namebenzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
PubChem CID8622876
Molecular FormulaC18H17BrNO+
Molecular Weight343.24 g/mol
Exact Mass342.05
IUPAC Namebenzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
SMILESBrc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1
InChIInChI=1S/C18H16BrNO/c19-16-8-6-15(7-9-16)18-11-10-17(21-18)13-20-12-14-4-2-1-3-5-14/h1-11,20H,12-13H2/p+1
InChIKeySMCMDCBYSNGJOQ-UHFFFAOYSA-O
XLogP3.97
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8622580
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
CID 8622897
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
N-benzyl-5-(4-bromophenyl)furan-2-amine
CID 161416946
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249

Frequently Asked Questions

What is the IUPAC name of benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium (CID 8622876) is benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium is Brc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1.
What is the InChIKey of benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium?
The InChIKey is SMCMDCBYSNGJOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16BrNO/c19-16-8-6-15(7-9-16)18-11-10-17(21-18)13-20-12-14-4-2-1-3-5-14/h1-11,20H,12-13H2/p+1.
What are the key properties of benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium?
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium has a molecular weight of 343.24 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).