(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine

C17H19NO2 — CID 66348382

IUPAC(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H19NO2/c1-12(18)13-6-4-7-15(9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16H,10-11,18H2,1H3/t12-,16?/m0/s1
InChIKeyRAVIEUDJBUFDTK-HKALDPMFSA-N
MW269.34 g/mol
LogP3.09
Rot. Bonds4

About (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine (PubChem CID 66348382) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
PubChem CID66348382
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H19NO2/c1-12(18)13-6-4-7-15(9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16H,10-11,18H2,1H3/t12-,16?/m0/s1
InChIKeyRAVIEUDJBUFDTK-HKALDPMFSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66365450
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81332587
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
CID 66348762

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine (CID 66348382) is (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1cccc(OCC2Cc3ccccc3O2)c1.
What is the InChIKey of (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is RAVIEUDJBUFDTK-HKALDPMFSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(18)13-6-4-7-15(9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16H,10-11,18H2,1H3/t12-,16?/m0/s1.
What are the key properties of (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 269.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 66348382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).