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

C16H22ClNO2 — CID 114731347

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3
InChIKeyNAWCNIXAROYWKK-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.55
Rot. Bonds6

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

1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine (PubChem CID 114731347) 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,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
PubChem CID114731347
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H22ClNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3
InChIKeyNAWCNIXAROYWKK-UHFFFAOYSA-N
XLogP4.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114731348
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)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114731121
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine (CID 114731347) is 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine is CCOC(C)(CC)C(NC)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The InChIKey is NAWCNIXAROYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.55, 6 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,2-dimethylbutan-1-amine is sourced from PubChem (CID 114731347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).