2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol

C15H18BrNO2 — CID 4723757

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3
InChIKeyQAEJJZXCARWVSB-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.57
Rot. Bonds6

About 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol

2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 4723757) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID4723757
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3
InChIKeyQAEJJZXCARWVSB-UHFFFAOYSA-N
XLogP3.57
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol (CID 4723757) is 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is QAEJJZXCARWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol?
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 4723757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).