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

C17H24ClNO — CID 105048645

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C(CC)CC
InChIInChI=1S/C17H24ClNO/c1-4-10-19-16(12(5-2)6-3)15-11-13-8-7-9-14(18)17(13)20-15/h7-9,11-12,16,19H,4-6,10H2,1-3H3
InChIKeyOOCRXZVESQDSCC-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.56
Rot. Bonds7

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

1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 105048645) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID105048645
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C(CC)CC
InChIInChI=1S/C17H24ClNO/c1-4-10-19-16(12(5-2)6-3)15-11-13-8-7-9-14(18)17(13)20-15/h7-9,11-12,16,19H,4-6,10H2,1-3H3
InChIKeyOOCRXZVESQDSCC-UHFFFAOYSA-N
XLogP5.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
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)-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
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977704
N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 114729105
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine (CID 105048645) is 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1cc2cccc(Cl)c2o1)C(CC)CC.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is OOCRXZVESQDSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-10-19-16(12(5-2)6-3)15-11-13-8-7-9-14(18)17(13)20-15/h7-9,11-12,16,19H,4-6,10H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 5.56, 7 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)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105048645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).