1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol

C16H17ClN2O3 — CID 133483436

IUPAC1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
SMILESCc1cccc(NCC(O)c2cc(Cl)c3c(c2)OCCO3)n1
InChIInChI=1S/C16H17ClN2O3/c1-10-3-2-4-15(19-10)18-9-13(20)11-7-12(17)16-14(8-11)21-5-6-22-16/h2-4,7-8,13,20H,5-6,9H2,1H3,(H,18,19)
InChIKeyWYFUDRAGRLEDOV-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol (PubChem CID 133483436) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
PubChem CID133483436
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
SMILESCc1cccc(NCC(O)c2cc(Cl)c3c(c2)OCCO3)n1
InChIInChI=1S/C16H17ClN2O3/c1-10-3-2-4-15(19-10)18-9-13(20)11-7-12(17)16-14(8-11)21-5-6-22-16/h2-4,7-8,13,20H,5-6,9H2,1H3,(H,18,19)
InChIKeyWYFUDRAGRLEDOV-UHFFFAOYSA-N
XLogP2.96
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylamino)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 133410353
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-methyl-1,2-thiazol-4-yl)methylamino]ethanol
CID 146145041
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(pyridin-3-ylmethylamino)ethanol
CID 111440476
(1R)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 129402356
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111440487
(1S)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 99631671
5-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-2-methylbenzamide;hydrochloride
CID 120635163
4-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119332137
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-methylhexan-1-ol
CID 83158621
3-(2-aminophenyl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]propanamide;hydrochloride
CID 120611152
2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride
CID 120990557

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol (CID 133483436) is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol is Cc1cccc(NCC(O)c2cc(Cl)c3c(c2)OCCO3)n1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The InChIKey is WYFUDRAGRLEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-3-2-4-15(19-10)18-9-13(20)11-7-12(17)16-14(8-11)21-5-6-22-16/h2-4,7-8,13,20H,5-6,9H2,1H3,(H,18,19).
What are the key properties of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol?
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol has a molecular weight of 320.78 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(6-methyl-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 133483436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).