2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

C16H17NO3 — CID 61046992

IUPAC2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c18-11-14(17-13-4-2-1-3-5-13)12-6-7-15-16(10-12)20-9-8-19-15/h1-7,10,14,17-18H,8-9,11H2
InChIKeyPWDUQFBZYBMXLR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.60
Rot. Bonds4

About 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 61046992) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID61046992
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c18-11-14(17-13-4-2-1-3-5-13)12-6-7-15-16(10-12)20-9-8-19-15/h1-7,10,14,17-18H,8-9,11H2
InChIKeyPWDUQFBZYBMXLR-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoroanilino)ethanol
CID 61048704
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 60990813
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 61005480
2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
N-[1-(1,3-benzodioxol-5-yl)ethyl]aniline
CID 42841562
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 61046992) is 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is OCC(Nc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is PWDUQFBZYBMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-14(17-13-4-2-1-3-5-13)12-6-7-15-16(10-12)20-9-8-19-15/h1-7,10,14,17-18H,8-9,11H2.
What are the key properties of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 271.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 61046992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).