2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C17H19NO — CID 125485635

IUPAC2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCc1cccc(-c2cccc3c2O[C@@H](CCN)C3)c1
InChIInChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)16-7-3-6-14-11-15(8-9-18)19-17(14)16/h2-7,10,15H,8-9,11,18H2,1H3/t15-/m0/s1
InChIKeyVCLXTCWPKJPDSJ-HNNXBMFYSA-N
MW253.35 g/mol
LogP3.31
Rot. Bonds3

About 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 125485635) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID125485635
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCc1cccc(-c2cccc3c2O[C@@H](CCN)C3)c1
InChIInChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)16-7-3-6-14-11-15(8-9-18)19-17(14)16/h2-7,10,15H,8-9,11,18H2,1H3/t15-/m0/s1
InChIKeyVCLXTCWPKJPDSJ-HNNXBMFYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963646
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68964644
[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69206408
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 125485635) is 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is Cc1cccc(-c2cccc3c2O[C@@H](CCN)C3)c1.
What is the InChIKey of 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is VCLXTCWPKJPDSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)16-7-3-6-14-11-15(8-9-18)19-17(14)16/h2-7,10,15H,8-9,11,18H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 125485635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).