3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine

C13H22N2O2 — CID 116821019

IUPAC3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1cc(C)ccc1OCC(N)CN(C)C
InChIInChI=1S/C13H22N2O2/c1-10-5-6-12(13(7-10)16-4)17-9-11(14)8-15(2)3/h5-7,11H,8-9,14H2,1-4H3
InChIKeyHAKXYWIANFOVGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.27
Rot. Bonds6

About 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine

3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 116821019) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID116821019
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1cc(C)ccc1OCC(N)CN(C)C
InChIInChI=1S/C13H22N2O2/c1-10-5-6-12(13(7-10)16-4)17-9-11(14)8-15(2)3/h5-7,11H,8-9,14H2,1-4H3
InChIKeyHAKXYWIANFOVGA-UHFFFAOYSA-N
XLogP1.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-methoxy-4-methylphenoxy)butanoic acid
CID 112511333
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (CID 116821019) is 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is COc1cc(C)ccc1OCC(N)CN(C)C.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is HAKXYWIANFOVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-5-6-12(13(7-10)16-4)17-9-11(14)8-15(2)3/h5-7,11H,8-9,14H2,1-4H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116821019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).