1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol

C16H23NO2 — CID 66178945

IUPAC1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-12(2)9-16(3,18)11-17-10-14-8-13-6-4-5-7-15(13)19-14/h4-8,12,17-18H,9-11H2,1-3H3
InChIKeyQJFZTETYLJIBHY-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.32
Rot. Bonds6

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

1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66178945) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
PubChem CID66178945
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-12(2)9-16(3,18)11-17-10-14-8-13-6-4-5-7-15(13)19-14/h4-8,12,17-18H,9-11H2,1-3H3
InChIKeyQJFZTETYLJIBHY-UHFFFAOYSA-N
XLogP3.32
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 79893328
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol (CID 66178945) is 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is QJFZTETYLJIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)9-16(3,18)11-17-10-14-8-13-6-4-5-7-15(13)19-14/h4-8,12,17-18H,9-11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol?
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66178945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).