1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine

C15H19BrFNO — CID 65439832

IUPAC1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2cc(Br)cc(F)c2o1
InChIInChI=1S/C15H19BrFNO/c1-3-5-13(18-6-4-2)14-8-10-7-11(16)9-12(17)15(10)19-14/h7-9,13,18H,3-6H2,1-2H3
InChIKeyUABMKSGCHCOKEQ-UHFFFAOYSA-N
MW328.23 g/mol
LogP5.18
Rot. Bonds6

About 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine

1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine (PubChem CID 65439832) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
PubChem CID65439832
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2cc(Br)cc(F)c2o1
InChIInChI=1S/C15H19BrFNO/c1-3-5-13(18-6-4-2)14-8-10-7-11(16)9-12(17)15(10)19-14/h7-9,13,18H,3-6H2,1-2H3
InChIKeyUABMKSGCHCOKEQ-UHFFFAOYSA-N
XLogP5.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028277
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
CID 65438665
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105182757
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine (CID 65439832) is 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc2cc(Br)cc(F)c2o1.
What is the InChIKey of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The InChIKey is UABMKSGCHCOKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-3-5-13(18-6-4-2)14-8-10-7-11(16)9-12(17)15(10)19-14/h7-9,13,18H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine has a molecular weight of 328.23 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65439832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).