2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine

C14H22N2O2 — CID 116945494

IUPAC2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C14H22N2O2/c1-3-10(8-15)14(16)11-7-13-12(6-9(11)2)17-4-5-18-13/h6-7,10,14H,3-5,8,15-16H2,1-2H3
InChIKeyPPSVWGQAIOJYPY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds4

About 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine

2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine (PubChem CID 116945494) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
PubChem CID116945494
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C14H22N2O2/c1-3-10(8-15)14(16)11-7-13-12(6-9(11)2)17-4-5-18-13/h6-7,10,14H,3-5,8,15-16H2,1-2H3
InChIKeyPPSVWGQAIOJYPY-UHFFFAOYSA-N
XLogP1.75
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylhexan-1-amine
CID 43330349
2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 82500943
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599
3,4-diamino-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 116942825
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 43131945
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116948739
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine (CID 116945494) is 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine is CCC(CN)C(N)c1cc2c(cc1C)OCCO2.
What is the InChIKey of 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The InChIKey is PPSVWGQAIOJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10(8-15)14(16)11-7-13-12(6-9(11)2)17-4-5-18-13/h6-7,10,14H,3-5,8,15-16H2,1-2H3.
What are the key properties of 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 116945494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).