(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine

C22H18ClNO2 — CID 67751726

IUPAC(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1occ2cc(-c3ccccc3)ccc12
InChIInChI=1S/C22H18ClNO2/c1-25-20-10-8-17(23)12-19(20)21(24)22-18-9-7-15(11-16(18)13-26-22)14-5-3-2-4-6-14/h2-13,21H,24H2,1H3
InChIKeyIOBZWNYJOMDRFJ-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.81
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine

(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine (PubChem CID 67751726) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine
PubChem CID67751726
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1occ2cc(-c3ccccc3)ccc12
InChIInChI=1S/C22H18ClNO2/c1-25-20-10-8-17(23)12-19(20)21(24)22-18-9-7-15(11-16(18)13-26-22)14-5-3-2-4-6-14/h2-13,21H,24H2,1H3
InChIKeyIOBZWNYJOMDRFJ-UHFFFAOYSA-N
XLogP5.81
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine (CID 67751726) is (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine is COc1ccc(Cl)cc1C(N)c1occ2cc(-c3ccccc3)ccc12.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine?
The InChIKey is IOBZWNYJOMDRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-25-20-10-8-17(23)12-19(20)21(24)22-18-9-7-15(11-16(18)13-26-22)14-5-3-2-4-6-14/h2-13,21H,24H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine?
(5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine has a molecular weight of 363.84 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(5-phenyl-2-benzofuran-1-yl)methanamine is sourced from PubChem (CID 67751726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).