N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

C14H22N2O2 — CID 66568533

IUPACN'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1cccc2c1OCCO2
InChIInChI=1S/C14H22N2O2/c1-11(2)16(7-6-15)10-12-4-3-5-13-14(12)18-9-8-17-13/h3-5,11H,6-10,15H2,1-2H3
InChIKeyWZXDDRDJWNQMLH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.63
Rot. Bonds5

About N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 66568533) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID66568533
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1cccc2c1OCCO2
InChIInChI=1S/C14H22N2O2/c1-11(2)16(7-6-15)10-12-4-3-5-13-14(12)18-9-8-17-13/h3-5,11H,6-10,15H2,1-2H3
InChIKeyWZXDDRDJWNQMLH-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
(2S)-2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propane-1,2-diamine
CID 104867725
2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutane-1,2-diamine
CID 114176310
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760
(2S)-2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutanamide
CID 66568552
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
methyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-methylbutanoate
CID 43583941
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propan-1-ol
CID 93187642
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylpentan-2-amine
CID 63843116
methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanoate
CID 43723549
3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)butanamide
CID 115677046
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylguanidine;hydroiodide
CID 154749332

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (CID 66568533) is N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)Cc1cccc2c1OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WZXDDRDJWNQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16(7-6-15)10-12-4-3-5-13-14(12)18-9-8-17-13/h3-5,11H,6-10,15H2,1-2H3.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 66568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).