2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol

C13H16ClNO3 — CID 82705701

IUPAC2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C13H16ClNO3/c14-13-11(9-15-5-7-17-8-6-16)10-3-1-2-4-12(10)18-13/h1-4,15-16H,5-9H2
InChIKeyZLRCRPTUJYISQL-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol

2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol (PubChem CID 82705701) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
PubChem CID82705701
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C13H16ClNO3/c14-13-11(9-15-5-7-17-8-6-16)10-3-1-2-4-12(10)18-13/h1-4,15-16H,5-9H2
InChIKeyZLRCRPTUJYISQL-UHFFFAOYSA-N
XLogP2.18
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 82705149
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
4-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethyl]phenol
CID 82711814
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 82758766
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115777523
(E)-N-[(2-chloro-1-benzofuran-3-yl)methyl]pent-3-en-1-amine
CID 115777550
N-[(2-chloro-1-benzofuran-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 82705985
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol (CID 82705701) is 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol is OCCOCCNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol?
The InChIKey is ZLRCRPTUJYISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-13-11(9-15-5-7-17-8-6-16)10-3-1-2-4-12(10)18-13/h1-4,15-16H,5-9H2.
What are the key properties of 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol?
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol has a molecular weight of 269.73 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 82705701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).