[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H15ClFNO2 — CID 68963988

IUPAC[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cc2c(c(-c3ccc(F)c(Cl)c3)c1)OC(CN)C2
InChIInChI=1S/C16H15ClFNO2/c1-20-11-4-10-5-12(8-19)21-16(10)13(7-11)9-2-3-15(18)14(17)6-9/h2-4,6-7,12H,5,8,19H2,1H3
InChIKeyCIACKBOCIDGHBY-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.42
Rot. Bonds3

About [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 68963988) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID68963988
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cc2c(c(-c3ccc(F)c(Cl)c3)c1)OC(CN)C2
InChIInChI=1S/C16H15ClFNO2/c1-20-11-4-10-5-12(8-19)21-16(10)13(7-11)9-2-3-15(18)14(17)6-9/h2-4,6-7,12H,5,8,19H2,1H3
InChIKeyCIACKBOCIDGHBY-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 68963988) is [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1cc2c(c(-c3ccc(F)c(Cl)c3)c1)OC(CN)C2.
What is the InChIKey of [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is CIACKBOCIDGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-20-11-4-10-5-12(8-19)21-16(10)13(7-11)9-2-3-15(18)14(17)6-9/h2-4,6-7,12H,5,8,19H2,1H3.
What are the key properties of [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 307.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloro-4-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 68963988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).