2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C11H16N2O2 — CID 116942432

IUPAC2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNC(CO)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-9(6-14)11(13)8-1-2-10-7(5-8)3-4-15-10/h1-2,5,9,11,14H,3-4,6,12-13H2
InChIKeyYZMYYMQCYODEPT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.06
Rot. Bonds3

About 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 116942432) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID116942432
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNC(CO)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-9(6-14)11(13)8-1-2-10-7(5-8)3-4-15-10/h1-2,5,9,11,14H,3-4,6,12-13H2
InChIKeyYZMYYMQCYODEPT-UHFFFAOYSA-N
XLogP-0.06
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
4-amino-3-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 66090066
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 116942432) is 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is NC(CO)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is YZMYYMQCYODEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-9(6-14)11(13)8-1-2-10-7(5-8)3-4-15-10/h1-2,5,9,11,14H,3-4,6,12-13H2.
What are the key properties of 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 208.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 116942432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).