1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine

C12H20N2O — CID 66516824

IUPAC1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
SMILESCCOc1cc(C)c(C)cc1C(N)CN
InChIInChI=1S/C12H20N2O/c1-4-15-12-6-9(3)8(2)5-10(12)11(14)7-13/h5-6,11H,4,7,13-14H2,1-3H3
InChIKeyWYACTMVSOXBKEI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine

1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine (PubChem CID 66516824) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
PubChem CID66516824
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
SMILESCCOc1cc(C)c(C)cc1C(N)CN
InChIInChI=1S/C12H20N2O/c1-4-15-12-6-9(3)8(2)5-10(12)11(14)7-13/h5-6,11H,4,7,13-14H2,1-3H3
InChIKeyWYACTMVSOXBKEI-UHFFFAOYSA-N
XLogP1.66
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
CID 66517345
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517333
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine
CID 170895100
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine (CID 66516824) is 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine is CCOc1cc(C)c(C)cc1C(N)CN.
What is the InChIKey of 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is WYACTMVSOXBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-12-6-9(3)8(2)5-10(12)11(14)7-13/h5-6,11H,4,7,13-14H2,1-3H3.
What are the key properties of 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine?
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66516824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).