1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine

C15H20ClNO2 — CID 114731255

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1cc2cccc(Cl)c2o1)C(C)(C)C
InChIInChI=1S/C15H20ClNO2/c1-15(2,3)14(18-4)12(17)11-8-9-6-5-7-10(16)13(9)19-11/h5-8,12,14H,17H2,1-4H3
InChIKeyJUUMHYNNUHYLNY-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.15
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 114731255) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID114731255
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1cc2cccc(Cl)c2o1)C(C)(C)C
InChIInChI=1S/C15H20ClNO2/c1-15(2,3)14(18-4)12(17)11-8-9-6-5-7-10(16)13(9)19-11/h5-8,12,14H,17H2,1-4H3
InChIKeyJUUMHYNNUHYLNY-UHFFFAOYSA-N
XLogP4.15
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
CID 114724129
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
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-(4-methylphenyl)ethanamine
CID 114728299

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 114731255) is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)c1cc2cccc(Cl)c2o1)C(C)(C)C.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is JUUMHYNNUHYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2,3)14(18-4)12(17)11-8-9-6-5-7-10(16)13(9)19-11/h5-8,12,14H,17H2,1-4H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 281.78 g/mol, XLogP of 4.15, 3 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-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114731255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).