(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol

C18H21NO2 — CID 104922890

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-13-17(11-14-4-2-1-3-5-14)19-12-15-6-7-18-16(10-15)8-9-21-18/h1-7,10,17,19-20H,8-9,11-13H2/t17-/m1/s1
InChIKeyASHVQJGFCRPIAP-QGZVFWFLSA-N
MW283.37 g/mol
LogP2.31
Rot. Bonds6

About (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol

(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol (PubChem CID 104922890) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
PubChem CID104922890
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-13-17(11-14-4-2-1-3-5-14)19-12-15-6-7-18-16(10-15)8-9-21-18/h1-7,10,17,19-20H,8-9,11-13H2/t17-/m1/s1
InChIKeyASHVQJGFCRPIAP-QGZVFWFLSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
CID 43804387
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
CID 82709471
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 110205762
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
CID 18352745
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 104545252
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
2-benzyl-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 119233576
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol (CID 104922890) is (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol?
The InChIKey is ASHVQJGFCRPIAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c20-13-17(11-14-4-2-1-3-5-14)19-12-15-6-7-18-16(10-15)8-9-21-18/h1-7,10,17,19-20H,8-9,11-13H2/t17-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol?
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 104922890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).