2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol

C11H16N2O2 — CID 115120331

IUPAC2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
SMILESNC(CO)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-9(7-14)6-13-10-1-2-11-8(5-10)3-4-15-11/h1-2,5,9,13-14H,3-4,6-7,12H2
InChIKeyICGREPQKZMBXKP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.35
Rot. Bonds4

About 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol

2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol (PubChem CID 115120331) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
PubChem CID115120331
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
SMILESNC(CO)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-9(7-14)6-13-10-1-2-11-8(5-10)3-4-15-11/h1-2,5,9,13-14H,3-4,6-7,12H2
InChIKeyICGREPQKZMBXKP-UHFFFAOYSA-N
XLogP0.35
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
2-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-ethylbutan-1-ol
CID 81412771
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol (CID 115120331) is 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol is NC(CO)CNc1ccc2c(c1)CCO2.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol?
The InChIKey is ICGREPQKZMBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-9(7-14)6-13-10-1-2-11-8(5-10)3-4-15-11/h1-2,5,9,13-14H,3-4,6-7,12H2.
What are the key properties of 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol?
2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol is sourced from PubChem (CID 115120331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).