2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine

C14H21ClN2O2 — CID 83922223

IUPAC2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1cc2c(cc1Cl)OCCO2)C(CN)CN
InChIInChI=1S/C14H21ClN2O2/c1-9(11(7-16)8-17)4-10-5-13-14(6-12(10)15)19-3-2-18-13/h5-6,9,11H,2-4,7-8,16-17H2,1H3
InChIKeyITZQCPVXIZNKEB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.82
Rot. Bonds5

About 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine

2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine (PubChem CID 83922223) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine
PubChem CID83922223
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1cc2c(cc1Cl)OCCO2)C(CN)CN
InChIInChI=1S/C14H21ClN2O2/c1-9(11(7-16)8-17)4-10-5-13-14(6-12(10)15)19-3-2-18-13/h5-6,9,11H,2-4,7-8,16-17H2,1H3
InChIKeyITZQCPVXIZNKEB-UHFFFAOYSA-N
XLogP1.82
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine with MolForge

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Related Compounds

6-chloro-7-(2-methylbut-3-enyl)-2,3-dihydro-1,4-benzodioxine
CID 83922294
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 124636589
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
2-amino-3-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 131351020
3-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-amine
CID 117356338
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
3-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropanamide
CID 55105178
1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propan-2-ol
CID 117425419
5-(bromomethyl)-6-chloro-1,3-benzodioxole
CID 19105299
2-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 116924968
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine
CID 83922518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine (CID 83922223) is 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine is CC(Cc1cc2c(cc1Cl)OCCO2)C(CN)CN.
What is the InChIKey of 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine?
The InChIKey is ITZQCPVXIZNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(11(7-16)8-17)4-10-5-13-14(6-12(10)15)19-3-2-18-13/h5-6,9,11H,2-4,7-8,16-17H2,1H3.
What are the key properties of 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine?
2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine has a molecular weight of 284.79 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83922223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).