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

C16H16ClNO3 — CID 61047739

IUPAC2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16ClNO3/c17-12-3-1-2-4-13(12)18-14(10-19)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9,14,18-19H,7-8,10H2
InChIKeyLMCANWWFICJWJI-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.26
Rot. Bonds4

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

2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 61047739) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID61047739
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16ClNO3/c17-12-3-1-2-4-13(12)18-14(10-19)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9,14,18-19H,7-8,10H2
InChIKeyLMCANWWFICJWJI-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046992
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoroanilino)ethanol
CID 61048704
(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-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434010
[(1R)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 6934712

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 61047739) is 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is OCC(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is LMCANWWFICJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-12-3-1-2-4-13(12)18-14(10-19)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9,14,18-19H,7-8,10H2.
What are the key properties of 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 305.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 61047739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).