1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine

C13H16ClNO — CID 65440764

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H16ClNO/c1-3-5-11(15-2)12-8-9-6-4-7-10(14)13(9)16-12/h4,6-8,11,15H,3,5H2,1-2H3
InChIKeyPOQOWVLZSTWVMB-UHFFFAOYSA-N
MW237.73 g/mol
LogP4.15
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine (PubChem CID 65440764) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
PubChem CID65440764
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H16ClNO/c1-3-5-11(15-2)12-8-9-6-4-7-10(14)13(9)16-12/h4,6-8,11,15H,3,5H2,1-2H3
InChIKeyPOQOWVLZSTWVMB-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114731121
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438491
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
1-(5-bromo-4,7-dichloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 107662146

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine (CID 65440764) is 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine is CCCC(NC)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The InChIKey is POQOWVLZSTWVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-5-11(15-2)12-8-9-6-4-7-10(14)13(9)16-12/h4,6-8,11,15H,3,5H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 65440764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).