N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine

C17H18FNO — CID 81441574

IUPACN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc3c(c2)COC3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-2-19-9-12-3-6-16(17(18)7-12)13-4-5-14-10-20-11-15(14)8-13/h3-8,19H,2,9-11H2,1H3
InChIKeyDNKUXIMHECSDPR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.63
Rot. Bonds4

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

N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine (PubChem CID 81441574) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
PubChem CID81441574
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc3c(c2)COC3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-2-19-9-12-3-6-16(17(18)7-12)13-4-5-14-10-20-11-15(14)8-13/h3-8,19H,2,9-11H2,1H3
InChIKeyDNKUXIMHECSDPR-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine (CID 81441574) is N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc3c(c2)COC3)c(F)c1.
What is the InChIKey of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is DNKUXIMHECSDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-19-9-12-3-6-16(17(18)7-12)13-4-5-14-10-20-11-15(14)8-13/h3-8,19H,2,9-11H2,1H3.
What are the key properties of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 81441574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).