1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol

C15H23NO2 — CID 64512125

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-4-8-16-10-13(17)12-7-5-6-11-9-15(2,3)18-14(11)12/h5-7,13,16-17H,4,8-10H2,1-3H3
InChIKeyMWHNEIFQDYGYKA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds5

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol (PubChem CID 64512125) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
PubChem CID64512125
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-4-8-16-10-13(17)12-7-5-6-11-9-15(2,3)18-14(11)12/h5-7,13,16-17H,4,8-10H2,1-3H3
InChIKeyMWHNEIFQDYGYKA-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)ethyl]propan-1-amine
CID 64865774
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
CID 64567200
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-hydroxymethyl]pentanoic acid
CID 83043675
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-propylprop-2-en-1-amine
CID 79348474
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
CID 66073414
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2-methylpropylamino)acetonitrile
CID 64509300
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol (CID 64512125) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol is CCCNCC(O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol?
The InChIKey is MWHNEIFQDYGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-8-16-10-13(17)12-7-5-6-11-9-15(2,3)18-14(11)12/h5-7,13,16-17H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 64512125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).