(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol

C17H19NO3 — CID 171268731

IUPAC(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
SMILESN[C@@H](c1ccc2c(c1)OCCO2)[C@H](O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c18-17(14(19)10-12-4-2-1-3-5-12)13-6-7-15-16(11-13)21-9-8-20-15/h1-7,11,14,17,19H,8-10,18H2/t14-,17+/m1/s1
InChIKeyYGQRJBXMCWDCKH-PBHICJAKSA-N
MW285.34 g/mol
LogP2.06
Rot. Bonds4

About (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol

(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol (PubChem CID 171268731) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
PubChem CID171268731
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
SMILESN[C@@H](c1ccc2c(c1)OCCO2)[C@H](O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c18-17(14(19)10-12-4-2-1-3-5-12)13-6-7-15-16(11-13)21-9-8-20-15/h1-7,11,14,17,19H,8-10,18H2/t14-,17+/m1/s1
InChIKeyYGQRJBXMCWDCKH-PBHICJAKSA-N
XLogP2.06
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
CID 171263056
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522
(2R,3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1,1-trifluoropropan-2-ol
CID 171263046
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171265081
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol (CID 171268731) is (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol is N[C@@H](c1ccc2c(c1)OCCO2)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol?
The InChIKey is YGQRJBXMCWDCKH-PBHICJAKSA-N. The full InChI is InChI=1S/C17H19NO3/c18-17(14(19)10-12-4-2-1-3-5-12)13-6-7-15-16(11-13)21-9-8-20-15/h1-7,11,14,17,19H,8-10,18H2/t14-,17+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol has a molecular weight of 285.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171268731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).