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

C15H14FNO — CID 55144055

IUPAC[4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2ccc3c(c2)COC3)cc1F
InChIInChI=1S/C15H14FNO/c16-15-6-11(1-3-12(15)7-17)10-2-4-13-8-18-9-14(13)5-10/h1-6H,7-9,17H2
InChIKeyKBBXEKDOEUWCHL-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.98
Rot. Bonds2

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

[4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine (PubChem CID 55144055) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine
PubChem CID55144055
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name[4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2ccc3c(c2)COC3)cc1F
InChIInChI=1S/C15H14FNO/c16-15-6-11(1-3-12(15)7-17)10-2-4-13-8-18-9-14(13)5-10/h1-6H,7-9,17H2
InChIKeyKBBXEKDOEUWCHL-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine (CID 55144055) is [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine is NCc1ccc(-c2ccc3c(c2)COC3)cc1F.
What is the InChIKey of [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine?
The InChIKey is KBBXEKDOEUWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-15-6-11(1-3-12(15)7-17)10-2-4-13-8-18-9-14(13)5-10/h1-6H,7-9,17H2.
What are the key properties of [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine?
[4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 55144055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).