2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine

C17H25NO3 — CID 62571024

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1(C)Cc2cccc(OCCNCC3CCCO3)c2O1
InChIInChI=1S/C17H25NO3/c1-17(2)11-13-5-3-7-15(16(13)21-17)20-10-8-18-12-14-6-4-9-19-14/h3,5,7,14,18H,4,6,8-12H2,1-2H3
InChIKeyYGNWAIYVJSTISQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62571024) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62571024
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1(C)Cc2cccc(OCCNCC3CCCO3)c2O1
InChIInChI=1S/C17H25NO3/c1-17(2)11-13-5-3-7-15(16(13)21-17)20-10-8-18-12-14-6-4-9-19-14/h3,5,7,14,18H,4,6,8-12H2,1-2H3
InChIKeyYGNWAIYVJSTISQ-UHFFFAOYSA-N
XLogP2.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46448935
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
CID 79563593
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55791758
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine (CID 62571024) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine is CC1(C)Cc2cccc(OCCNCC3CCCO3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is YGNWAIYVJSTISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2)11-13-5-3-7-15(16(13)21-17)20-10-8-18-12-14-6-4-9-19-14/h3,5,7,14,18H,4,6,8-12H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 291.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62571024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).