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

C11H16N2O2 — CID 115121170

IUPAC1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
SMILESNCC(O)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-6-10(14)7-13-9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,13-14H,3-4,6-7,12H2
InChIKeyYQQIXUIIWKMMBF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.35
Rot. Bonds4

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

1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol (PubChem CID 115121170) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
PubChem CID115121170
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
SMILESNCC(O)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O2/c12-6-10(14)7-13-9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,13-14H,3-4,6-7,12H2
InChIKeyYQQIXUIIWKMMBF-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
CID 115120331
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115249248
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
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-methylbutane-1,4-diamine
CID 115201733
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol (CID 115121170) is 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol is NCC(O)CNc1ccc2c(c1)CCO2.
What is the InChIKey of 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol?
The InChIKey is YQQIXUIIWKMMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-6-10(14)7-13-9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,13-14H,3-4,6-7,12H2.
What are the key properties of 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol?
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-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 1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol is sourced from PubChem (CID 115121170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).