1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine

C17H24ClNO2 — CID 114731108

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C(CC)OCC
InChIInChI=1S/C17H24ClNO2/c1-4-10-19-16(14(5-2)20-6-3)15-11-12-8-7-9-13(18)17(12)21-15/h7-9,11,14,16,19H,4-6,10H2,1-3H3
InChIKeyPEXJGWSTAIYYDS-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.94
Rot. Bonds8

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

1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine (PubChem CID 114731108) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
PubChem CID114731108
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C(CC)OCC
InChIInChI=1S/C17H24ClNO2/c1-4-10-19-16(14(5-2)20-6-3)15-11-12-8-7-9-13(18)17(12)21-15/h7-9,11,14,16,19H,4-6,10H2,1-3H3
InChIKeyPEXJGWSTAIYYDS-UHFFFAOYSA-N
XLogP4.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114731121
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
N-[1-(7-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114728334
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine (CID 114731108) is 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine is CCCNC(c1cc2cccc(Cl)c2o1)C(CC)OCC.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine?
The InChIKey is PEXJGWSTAIYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-4-10-19-16(14(5-2)20-6-3)15-11-12-8-7-9-13(18)17(12)21-15/h7-9,11,14,16,19H,4-6,10H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 114731108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).