4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol

C17H25NO2 — CID 103897611

IUPAC4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
SMILESCc1oc2ccccc2c1CNCC(C)(C)CCCO
InChIInChI=1S/C17H25NO2/c1-13-15(14-7-4-5-8-16(14)20-13)11-18-12-17(2,3)9-6-10-19/h4-5,7-8,18-19H,6,9-12H2,1-3H3
InChIKeyAZSXYHSXSPYYEN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds7

About 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol

4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol (PubChem CID 103897611) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
PubChem CID103897611
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
SMILESCc1oc2ccccc2c1CNCC(C)(C)CCCO
InChIInChI=1S/C17H25NO2/c1-13-15(14-7-4-5-8-16(14)20-13)11-18-12-17(2,3)9-6-10-19/h4-5,7-8,18-19H,6,9-12H2,1-3H3
InChIKeyAZSXYHSXSPYYEN-UHFFFAOYSA-N
XLogP3.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
[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
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
CID 103897600
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 103897705
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781
4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
CID 106144835

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol (CID 103897611) is 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol is Cc1oc2ccccc2c1CNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol?
The InChIKey is AZSXYHSXSPYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-15(14-7-4-5-8-16(14)20-13)11-18-12-17(2,3)9-6-10-19/h4-5,7-8,18-19H,6,9-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol?
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103897611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).