(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine

C12H20N2O2 — CID 66517495

IUPAC(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(OCC)c([C@H](N)CN)c1
InChIInChI=1S/C12H20N2O2/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11H,3-4,8,13-14H2,1-2H3/t11-/m1/s1
InChIKeyTXVAHMOUDQLKJA-LLVKDONJSA-N
MW224.30 g/mol
LogP1.44
Rot. Bonds6

About (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine

(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine (PubChem CID 66517495) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
PubChem CID66517495
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(OCC)c([C@H](N)CN)c1
InChIInChI=1S/C12H20N2O2/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11H,3-4,8,13-14H2,1-2H3/t11-/m1/s1
InChIKeyTXVAHMOUDQLKJA-LLVKDONJSA-N
XLogP1.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine
CID 170895100
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
2-(aminomethyl)-5-(2,5-diethoxyphenyl)-4-methylhexanoic acid
CID 69268164
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517333

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine (CID 66517495) is (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine is CCOc1ccc(OCC)c([C@H](N)CN)c1.
What is the InChIKey of (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine?
The InChIKey is TXVAHMOUDQLKJA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11H,3-4,8,13-14H2,1-2H3/t11-/m1/s1.
What are the key properties of (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine?
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).