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

C15H21NO2 — CID 114731162

IUPAC1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1cc2ccccc2o1)C(OC)C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)15(17-4)14(16-3)13-9-11-7-5-6-8-12(11)18-13/h5-10,14-16H,1-4H3
InChIKeyGHABLMFHXSAEML-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.36
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 114731162) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID114731162
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1cc2ccccc2o1)C(OC)C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)15(17-4)14(16-3)13-9-11-7-5-6-8-12(11)18-13/h5-10,14-16H,1-4H3
InChIKeyGHABLMFHXSAEML-UHFFFAOYSA-N
XLogP3.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114731176
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247149
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 114731162) is 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine is CNC(c1cc2ccccc2o1)C(OC)C(C)C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is GHABLMFHXSAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)15(17-4)14(16-3)13-9-11-7-5-6-8-12(11)18-13/h5-10,14-16H,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114731162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).