[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol

C17H18FNO2 — CID 107230638

IUPAC[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H18FNO2/c18-15-4-5-17-14(7-15)8-16(21-17)10-19-9-12-2-1-3-13(6-12)11-20/h1-7,16,19-20H,8-11H2
InChIKeySHFLDSIGYWUPSN-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.41
Rot. Bonds5

About [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol

[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107230638) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
PubChem CID107230638
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H18FNO2/c18-15-4-5-17-14(7-15)8-16(21-17)10-19-9-12-2-1-3-13(6-12)11-20/h1-7,16,19-20H,8-11H2
InChIKeySHFLDSIGYWUPSN-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
CID 66359946
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N-[(2-chlorophenyl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66366030
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
CID 66362951
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 66364689
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417792
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399125
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol (CID 107230638) is [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol is OCc1cccc(CNCC2Cc3cc(F)ccc3O2)c1.
What is the InChIKey of [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is SHFLDSIGYWUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-4-5-17-14(7-15)8-16(21-17)10-19-9-12-2-1-3-13(6-12)11-20/h1-7,16,19-20H,8-11H2.
What are the key properties of [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol?
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 287.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).