1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine

C15H20ClNO — CID 114727840

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO/c1-4-17-13(8-10(2)3)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,4,8H2,1-3H3
InChIKeyAKPFADCAFXHYJE-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.78
Rot. Bonds5

About 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 114727840) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID114727840
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO/c1-4-17-13(8-10(2)3)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,4,8H2,1-3H3
InChIKeyAKPFADCAFXHYJE-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine (CID 114727840) is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is AKPFADCAFXHYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-17-13(8-10(2)3)14-9-11-6-5-7-12(16)15(11)18-14/h5-7,9-10,13,17H,4,8H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 4.78, 5 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-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 114727840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).