6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol

C16H25NO2 — CID 107849705

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
SMILESCC1(C)Oc2ccccc2C1NCCCCCCO
InChIInChI=1S/C16H25NO2/c1-16(2)15(17-11-7-3-4-8-12-18)13-9-5-6-10-14(13)19-16/h5-6,9-10,15,17-18H,3-4,7-8,11-12H2,1-2H3
InChIKeyOCAXQSFPBQHGQF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds7

About 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol

6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol (PubChem CID 107849705) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
PubChem CID107849705
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
SMILESCC1(C)Oc2ccccc2C1NCCCCCCO
InChIInChI=1S/C16H25NO2/c1-16(2)15(17-11-7-3-4-8-12-18)13-9-5-6-10-14(13)19-16/h5-6,9-10,15,17-18H,3-4,7-8,11-12H2,1-2H3
InChIKeyOCAXQSFPBQHGQF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol with MolForge

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Related Compounds

3-[2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309576
2,2-dimethyl-N-(4-methylsulfanylbutyl)-3H-1-benzofuran-3-amine
CID 106701442
N-hex-5-ynyl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106209887
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol (CID 107849705) is 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol is CC1(C)Oc2ccccc2C1NCCCCCCO.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol?
The InChIKey is OCAXQSFPBQHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)15(17-11-7-3-4-8-12-18)13-9-5-6-10-14(13)19-16/h5-6,9-10,15,17-18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol?
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol is sourced from PubChem (CID 107849705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).