6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine

C17H27NO2 — CID 106800682

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
SMILESCCC(CCCOc1cccc2c1OC(C)(C)C2)NC
InChIInChI=1S/C17H27NO2/c1-5-14(18-4)9-7-11-19-15-10-6-8-13-12-17(2,3)20-16(13)15/h6,8,10,14,18H,5,7,9,11-12H2,1-4H3
InChIKeyNIKGTYSGPIGDOY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds7

About 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine (PubChem CID 106800682) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
PubChem CID106800682
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
SMILESCCC(CCCOc1cccc2c1OC(C)(C)C2)NC
InChIInChI=1S/C17H27NO2/c1-5-14(18-4)9-7-11-19-15-10-6-8-13-12-17(2,3)20-16(13)15/h6,8,10,14,18H,5,7,9,11-12H2,1-4H3
InChIKeyNIKGTYSGPIGDOY-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propylamino)butan-1-ol
CID 64804749
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
CID 62571340
3-[[2,2-bis(methylamino)-3H-1-benzofuran-7-yl]oxy]propan-1-ol
CID 90778866
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]butane-1-sulfonyl chloride
CID 64999700

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine (CID 106800682) is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine is CCC(CCCOc1cccc2c1OC(C)(C)C2)NC.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine?
The InChIKey is NIKGTYSGPIGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-14(18-4)9-7-11-19-15-10-6-8-13-12-17(2,3)20-16(13)15/h6,8,10,14,18H,5,7,9,11-12H2,1-4H3.
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine?
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine has a molecular weight of 277.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine is sourced from PubChem (CID 106800682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).