5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol

C16H25NO2 — CID 106147124

IUPAC5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1COc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-10-13-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,13,17-18H,5,8-12H2,1-2H3
InChIKeyHYKOCMNLDHHOAD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds7

About 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol

5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147124) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147124
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1COc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-10-13-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,13,17-18H,5,8-12H2,1-2H3
InChIKeyHYKOCMNLDHHOAD-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106277307
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol (CID 106147124) is 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC1COc2ccccc21.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is HYKOCMNLDHHOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-10-13-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,13,17-18H,5,8-12H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol?
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).