(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine

C11H16N2O3 — CID 66517333

IUPAC(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
SMILESCCOc1cc2c(cc1[C@@H](N)CN)OCO2
InChIInChI=1S/C11H16N2O3/c1-2-14-9-4-11-10(15-6-16-11)3-7(9)8(13)5-12/h3-4,8H,2,5-6,12-13H2,1H3/t8-/m0/s1
InChIKeyBXKVPDCDBWCKIG-QMMMGPOBSA-N
MW224.26 g/mol
LogP0.77
Rot. Bonds4

About (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine

(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine (PubChem CID 66517333) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
PubChem CID66517333
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
SMILESCCOc1cc2c(cc1[C@@H](N)CN)OCO2
InChIInChI=1S/C11H16N2O3/c1-2-14-9-4-11-10(15-6-16-11)3-7(9)8(13)5-12/h3-4,8H,2,5-6,12-13H2,1H3/t8-/m0/s1
InChIKeyBXKVPDCDBWCKIG-QMMMGPOBSA-N
XLogP0.77
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-(6-ethoxy-1,3-benzodioxol-5-yl)acetic acid
CID 66510751
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
5-ethoxy-6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 679971
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-amine;hydrochloride
CID 171215133
6-ethoxy-1,3-benzodioxole-5-carbonitrile
CID 130132312
(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-diamine;hydrochloride
CID 171228045
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)butan-1-amine;hydrochloride
CID 171213180
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213193

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine (CID 66517333) is (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine is CCOc1cc2c(cc1[C@@H](N)CN)OCO2.
What is the InChIKey of (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine?
The InChIKey is BXKVPDCDBWCKIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-14-9-4-11-10(15-6-16-11)3-7(9)8(13)5-12/h3-4,8H,2,5-6,12-13H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine?
(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 66517333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).