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

C16H22ClNO2 — CID 114731121

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO2/c1-4-7-13(19-5-2)15(18-3)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3
InChIKeyAWQSAHAAUTZUKK-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.55
Rot. Bonds7

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

1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine (PubChem CID 114731121) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
PubChem CID114731121
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO2/c1-4-7-13(19-5-2)15(18-3)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3
InChIKeyAWQSAHAAUTZUKK-UHFFFAOYSA-N
XLogP4.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-propylbutan-1-amine
CID 114731108
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine (CID 114731121) is 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine?
The InChIKey is AWQSAHAAUTZUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-4-7-13(19-5-2)15(18-3)14-10-11-8-6-9-12(17)16(11)20-14/h6,8-10,13,15,18H,4-5,7H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.55, 7 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-methylpentan-1-amine is sourced from PubChem (CID 114731121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).