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

C16H15ClFNO2 — CID 107694893

IUPAC[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15ClFNO2/c17-13-5-10-3-4-20-16(10)12(6-13)9-21-15-2-1-14(18)7-11(15)8-19/h1-2,5-7H,3-4,8-9,19H2
InChIKeyUJPJBHYIISMIQP-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.45
Rot. Bonds4

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

[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine (PubChem CID 107694893) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
PubChem CID107694893
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15ClFNO2/c17-13-5-10-3-4-20-16(10)12(6-13)9-21-15-2-1-14(18)7-11(15)8-19/h1-2,5-7H,3-4,8-9,19H2
InChIKeyUJPJBHYIISMIQP-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine (CID 107694893) is [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1OCc1cc(Cl)cc2c1OCC2.
What is the InChIKey of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine?
The InChIKey is UJPJBHYIISMIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-13-5-10-3-4-20-16(10)12(6-13)9-21-15-2-1-14(18)7-11(15)8-19/h1-2,5-7H,3-4,8-9,19H2.
What are the key properties of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine?
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine has a molecular weight of 307.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107694893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).