6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

C17H18ClNO2 — CID 63096753

IUPAC6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H18ClNO2/c1-2-19-16-11-21-17-9-14(7-8-15(16)17)20-10-12-3-5-13(18)6-4-12/h3-9,16,19H,2,10-11H2,1H3
InChIKeyOVLOLNLXCGYWLD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.96
Rot. Bonds5

About 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096753) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096753
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H18ClNO2/c1-2-19-16-11-21-17-9-14(7-8-15(16)17)20-10-12-3-5-13(18)6-4-12/h3-9,16,19H,2,10-11H2,1H3
InChIKeyOVLOLNLXCGYWLD-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 79168481
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096041
N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981803
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
CID 65208377
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 63096753) is 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OVLOLNLXCGYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-19-16-11-21-17-9-14(7-8-15(16)17)20-10-12-3-5-13(18)6-4-12/h3-9,16,19H,2,10-11H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 303.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).