3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol

C14H19NO2 — CID 168924273

IUPAC3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCNC(CO)C(C)(C)c1ccc2ccoc2c1
InChIInChI=1S/C14H19NO2/c1-14(2,13(9-16)15-3)11-5-4-10-6-7-17-12(10)8-11/h4-8,13,15-16H,9H2,1-3H3
InChIKeyYKUIXPWLDYDEAL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds4

About 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol

3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol (PubChem CID 168924273) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
PubChem CID168924273
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCNC(CO)C(C)(C)c1ccc2ccoc2c1
InChIInChI=1S/C14H19NO2/c1-14(2,13(9-16)15-3)11-5-4-10-6-7-17-12(10)8-11/h4-8,13,15-16H,9H2,1-3H3
InChIKeyYKUIXPWLDYDEAL-UHFFFAOYSA-N
XLogP2.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-6-yl)-3,4,4-trifluoro-2-(methylamino)butan-1-ol
CID 166892359
3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
CID 166892615
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
2-(1-benzofuran-6-yl)-4-chloro-1-fluoro-3-(methylamino)butan-2-ol
CID 166892349
CID 168924235
CID 168924235
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
CID 168924242
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
3-(1-benzofuran-5-yl)-4,4-dichloro-2-(ethylamino)butane-1,3-diol
CID 163660314
1-(1-benzofuran-6-yl)-3,3,3-trichloro-2-(methylamino)propan-1-ol
CID 166892374
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol (CID 168924273) is 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol is CNC(CO)C(C)(C)c1ccc2ccoc2c1.
What is the InChIKey of 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol?
The InChIKey is YKUIXPWLDYDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,13(9-16)15-3)11-5-4-10-6-7-17-12(10)8-11/h4-8,13,15-16H,9H2,1-3H3.
What are the key properties of 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol?
3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 168924273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).