N-benzyl-5-(4-bromophenyl)furan-2-amine

C17H14BrNO — CID 161416946

IUPACN-benzyl-5-(4-bromophenyl)furan-2-amine
SMILESBrc1ccc(-c2ccc(NCc3ccccc3)o2)cc1
InChIInChI=1S/C17H14BrNO/c18-15-8-6-14(7-9-15)16-10-11-17(20-16)19-12-13-4-2-1-3-5-13/h1-11,19H,12H2
InChIKeyVWFAFVXLPIFULZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.32
Rot. Bonds4

About N-benzyl-5-(4-bromophenyl)furan-2-amine

N-benzyl-5-(4-bromophenyl)furan-2-amine (PubChem CID 161416946) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-benzyl-5-(4-bromophenyl)furan-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-bromophenyl)furan-2-amine
PubChem CID161416946
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC NameN-benzyl-5-(4-bromophenyl)furan-2-amine
SMILESBrc1ccc(-c2ccc(NCc3ccccc3)o2)cc1
InChIInChI=1S/C17H14BrNO/c18-15-8-6-14(7-9-15)16-10-11-17(20-16)19-12-13-4-2-1-3-5-13/h1-11,19H,12H2
InChIKeyVWFAFVXLPIFULZ-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
CID 174664684
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
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
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
N-benzyl-4-methylaniline;1-bromo-4-methylbenzene;phenylmethanamine
CID 158372976
(4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)furan-2-yl]methanethione
CID 16957246
N-benzyl-3,5-dibromoaniline
CID 10640949
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-bromophenyl)furan-2-amine?
The IUPAC name of N-benzyl-5-(4-bromophenyl)furan-2-amine (CID 161416946) is N-benzyl-5-(4-bromophenyl)furan-2-amine.
What is the SMILES notation for N-benzyl-5-(4-bromophenyl)furan-2-amine?
The canonical SMILES for N-benzyl-5-(4-bromophenyl)furan-2-amine is Brc1ccc(-c2ccc(NCc3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-5-(4-bromophenyl)furan-2-amine?
The InChIKey is VWFAFVXLPIFULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-8-6-14(7-9-15)16-10-11-17(20-16)19-12-13-4-2-1-3-5-13/h1-11,19H,12H2.
What are the key properties of N-benzyl-5-(4-bromophenyl)furan-2-amine?
N-benzyl-5-(4-bromophenyl)furan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-bromophenyl)furan-2-amine is sourced from PubChem (CID 161416946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).