3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol

C14H20ClNO3 — CID 83922241

IUPAC3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(CO)C(c1cc2c(cc1Cl)OCCO2)N(C)C
InChIInChI=1S/C14H20ClNO3/c1-9(8-17)14(16(2)3)10-6-12-13(7-11(10)15)19-5-4-18-12/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyHTNCLLVGPZVJBZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.34
Rot. Bonds4

About 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol

3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 83922241) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol
PubChem CID83922241
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(CO)C(c1cc2c(cc1Cl)OCCO2)N(C)C
InChIInChI=1S/C14H20ClNO3/c1-9(8-17)14(16(2)3)10-6-12-13(7-11(10)15)19-5-4-18-12/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyHTNCLLVGPZVJBZ-UHFFFAOYSA-N
XLogP2.34
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol with MolForge

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Related Compounds

(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
N-[(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 7471799
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol (CID 83922241) is 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol is CC(CO)C(c1cc2c(cc1Cl)OCCO2)N(C)C.
What is the InChIKey of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is HTNCLLVGPZVJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(8-17)14(16(2)3)10-6-12-13(7-11(10)15)19-5-4-18-12/h6-7,9,14,17H,4-5,8H2,1-3H3.
What are the key properties of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol?
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 83922241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).