(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine

C16H14ClNO2 — CID 43826525

IUPAC(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H14ClNO2/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9,16H,18H2,1H3
InChIKeyZLTFLHNWPZBADG-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.14
Rot. Bonds3

About (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine

(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 43826525) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID43826525
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H14ClNO2/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9,16H,18H2,1H3
InChIKeyZLTFLHNWPZBADG-UHFFFAOYSA-N
XLogP4.14
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
(5-chlorofuran-2-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106684387
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65428621
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine (CID 43826525) is (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine is COc1ccc2oc(C(N)c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is ZLTFLHNWPZBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9,16H,18H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine?
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 287.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 43826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).