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

C13H19NO2 — CID 106700871

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H19NO2/c1-9(8-15)14-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyYBAHVRXPARWTIE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.87
Rot. Bonds3

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

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol (PubChem CID 106700871) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
PubChem CID106700871
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
SMILESCC(CO)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H19NO2/c1-9(8-15)14-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyYBAHVRXPARWTIE-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
CID 106157338
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
CID 106700774
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
CID 106701059
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol (CID 106700871) is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol is CC(CO)NC1c2ccccc2OC1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol?
The InChIKey is YBAHVRXPARWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(8-15)14-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,9,12,14-15H,8H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol?
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol is sourced from PubChem (CID 106700871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).