N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine

C17H23NO3 — CID 97323660

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
SMILESC[C@@H](NCCCO[C@@H]1CCOC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO3/c1-13(17-11-14-5-2-3-6-16(14)21-17)18-8-4-9-20-15-7-10-19-12-15/h2-3,5-6,11,13,15,18H,4,7-10,12H2,1H3/t13-,15-/m1/s1
InChIKeyJXVOGVSWFKZSQG-UKRRQHHQSA-N
MW289.37 g/mol
LogP3.28
Rot. Bonds7

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine (PubChem CID 97323660) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
PubChem CID97323660
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
SMILESC[C@@H](NCCCO[C@@H]1CCOC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO3/c1-13(17-11-14-5-2-3-6-16(14)21-17)18-8-4-9-20-15-7-10-19-12-15/h2-3,5-6,11,13,15,18H,4,7-10,12H2,1H3/t13-,15-/m1/s1
InChIKeyJXVOGVSWFKZSQG-UKRRQHHQSA-N
XLogP3.28
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine 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

1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
CID 115727743
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine (CID 97323660) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine is C[C@@H](NCCCO[C@@H]1CCOC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine?
The InChIKey is JXVOGVSWFKZSQG-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(17-11-14-5-2-3-6-16(14)21-17)18-8-4-9-20-15-7-10-19-12-15/h2-3,5-6,11,13,15,18H,4,7-10,12H2,1H3/t13-,15-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine is sourced from PubChem (CID 97323660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).