1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine

C16H14ClNO2 — CID 105184741

IUPAC1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO2/c17-12-5-3-6-13(9-12)19-10-14(18)16-8-11-4-1-2-7-15(11)20-16/h1-9,14H,10,18H2
InChIKeyQXJHRZIQUVYRJU-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.16
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine

1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine (PubChem CID 105184741) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
PubChem CID105184741
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO2/c17-12-5-3-6-13(9-12)19-10-14(18)16-8-11-4-1-2-7-15(11)20-16/h1-9,14H,10,18H2
InChIKeyQXJHRZIQUVYRJU-UHFFFAOYSA-N
XLogP4.16
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 117240114
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
[1-(5-chloro-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212912
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
CID 139710624

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine (CID 105184741) is 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine is NC(COc1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
The InChIKey is QXJHRZIQUVYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-5-3-6-13(9-12)19-10-14(18)16-8-11-4-1-2-7-15(11)20-16/h1-9,14H,10,18H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine?
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine has a molecular weight of 287.75 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine is sourced from PubChem (CID 105184741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).