3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol

C15H23NO3 — CID 106157338

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H23NO3/c1-15(2)14(16-11(8-9-17)10-18-3)12-6-4-5-7-13(12)19-15/h4-7,11,14,16-17H,8-10H2,1-3H3
InChIKeyMUTRSABMYKHYEN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.89
Rot. Bonds6

About 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol

3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106157338) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
PubChem CID106157338
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H23NO3/c1-15(2)14(16-11(8-9-17)10-18-3)12-6-4-5-7-13(12)19-15/h4-7,11,14,16-17H,8-10H2,1-3H3
InChIKeyMUTRSABMYKHYEN-UHFFFAOYSA-N
XLogP1.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-hex-5-yn-3-yl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701431
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol (CID 106157338) is 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)NC1c2ccccc2OC1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is MUTRSABMYKHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2)14(16-11(8-9-17)10-18-3)12-6-4-5-7-13(12)19-15/h4-7,11,14,16-17H,8-10H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol?
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106157338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).