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

C17H17F2NO — CID 66365064

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-3-1-12(2-4-14)7-8-20-11-16-10-13-9-15(19)5-6-17(13)21-16/h1-6,9,16,20H,7-8,10-11H2
InChIKeyNQJZFEFDQJFFFD-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.10
Rot. Bonds5

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 66365064) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID66365064
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-3-1-12(2-4-14)7-8-20-11-16-10-13-9-15(19)5-6-17(13)21-16/h1-6,9,16,20H,7-8,10-11H2
InChIKeyNQJZFEFDQJFFFD-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400961
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine
CID 116643892
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66364695
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 66365475
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
CID 66362951

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine (CID 66365064) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNCC2Cc3cc(F)ccc3O2)cc1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is NQJZFEFDQJFFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-3-1-12(2-4-14)7-8-20-11-16-10-13-9-15(19)5-6-17(13)21-16/h1-6,9,16,20H,7-8,10-11H2.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 289.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 66365064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).