1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine

C13H22N2O — CID 82286999

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc(C)c(C)cc1C(CN)N(C)C
InChIInChI=1S/C13H22N2O/c1-9-6-11(12(8-14)15(3)4)13(16-5)7-10(9)2/h6-7,12H,8,14H2,1-5H3
InChIKeyPHMFYLFHOYELSD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine

1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82286999) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID82286999
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc(C)c(C)cc1C(CN)N(C)C
InChIInChI=1S/C13H22N2O/c1-9-6-11(12(8-14)15(3)4)13(16-5)7-10(9)2/h6-7,12H,8,14H2,1-5H3
InChIKeyPHMFYLFHOYELSD-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905468
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (CID 82286999) is 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is COc1cc(C)c(C)cc1C(CN)N(C)C.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is PHMFYLFHOYELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-11(12(8-14)15(3)4)13(16-5)7-10(9)2/h6-7,12H,8,14H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82286999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).