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

C15H21NO2 — CID 115907355

IUPAC3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
SMILESCc1oc2ccccc2c1CNC(C)(C)CCO
InChIInChI=1S/C15H21NO2/c1-11-13(10-16-15(2,3)8-9-17)12-6-4-5-7-14(12)18-11/h4-7,16-17H,8-10H2,1-3H3
InChIKeyBEMBGLRNYNFDBX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.99
Rot. Bonds5

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

3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol (PubChem CID 115907355) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
PubChem CID115907355
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
SMILESCc1oc2ccccc2c1CNC(C)(C)CCO
InChIInChI=1S/C15H21NO2/c1-11-13(10-16-15(2,3)8-9-17)12-6-4-5-7-14(12)18-11/h4-7,16-17H,8-10H2,1-3H3
InChIKeyBEMBGLRNYNFDBX-UHFFFAOYSA-N
XLogP2.99
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 103866300
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol (CID 115907355) is 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol is Cc1oc2ccccc2c1CNC(C)(C)CCO.
What is the InChIKey of 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The InChIKey is BEMBGLRNYNFDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-13(10-16-15(2,3)8-9-17)12-6-4-5-7-14(12)18-11/h4-7,16-17H,8-10H2,1-3H3.
What are the key properties of 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115907355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).