(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol

C16H17NO3 — CID 107862523

IUPAC(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-10-14(13-4-2-1-3-5-13)17-9-12-6-7-15-16(8-12)20-11-19-15/h1-8,14,17-18H,9-11H2/t14-/m0/s1
InChIKeyILXIXWYIYREYEZ-AWEZNQCLSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol

(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol (PubChem CID 107862523) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
PubChem CID107862523
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-10-14(13-4-2-1-3-5-13)17-9-12-6-7-15-16(8-12)20-11-19-15/h1-8,14,17-18H,9-11H2/t14-/m0/s1
InChIKeyILXIXWYIYREYEZ-AWEZNQCLSA-N
XLogP2.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylethanol;hydrochloride
CID 6459444
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
CID 18097364
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylethylamino)acetamide
CID 84867168
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylpropan-1-one
CID 82100052
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 4156085
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 2412890
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol (CID 107862523) is (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol is OC[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol?
The InChIKey is ILXIXWYIYREYEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3/c18-10-14(13-4-2-1-3-5-13)17-9-12-6-7-15-16(8-12)20-11-19-15/h1-8,14,17-18H,9-11H2/t14-/m0/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol?
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol has a molecular weight of 271.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol is sourced from PubChem (CID 107862523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).