3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C13H19NO2 — CID 84788053

IUPAC3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCc1cc(C(N)CCO)cc2c1OC(C)C2
InChIInChI=1S/C13H19NO2/c1-8-5-10(12(14)3-4-15)7-11-6-9(2)16-13(8)11/h5,7,9,12,15H,3-4,6,14H2,1-2H3
InChIKeyHLKIYWYHFKZWRG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 84788053) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID84788053
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCc1cc(C(N)CCO)cc2c1OC(C)C2
InChIInChI=1S/C13H19NO2/c1-8-5-10(12(14)3-4-15)7-11-6-9(2)16-13(8)11/h5,7,9,12,15H,3-4,6,14H2,1-2H3
InChIKeyHLKIYWYHFKZWRG-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 84788053) is 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is Cc1cc(C(N)CCO)cc2c1OC(C)C2.
What is the InChIKey of 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is HLKIYWYHFKZWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-10(12(14)3-4-15)7-11-6-9(2)16-13(8)11/h5,7,9,12,15H,3-4,6,14H2,1-2H3.
What are the key properties of 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 84788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).