2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine

C13H22N2O — CID 116855587

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
SMILESCOc1c(C)cc(C(C)(N)CN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-8-6-11(13(4,15)7-14)9(2)10(3)12(8)16-5/h6H,7,14-15H2,1-5H3
InChIKeyBSAFQGVWVCYCEQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine

2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine (PubChem CID 116855587) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
PubChem CID116855587
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
SMILESCOc1c(C)cc(C(C)(N)CN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-8-6-11(13(4,15)7-14)9(2)10(3)12(8)16-5/h6H,7,14-15H2,1-5H3
InChIKeyBSAFQGVWVCYCEQ-UHFFFAOYSA-N
XLogP1.75
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine (CID 116855587) is 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine is COc1c(C)cc(C(C)(N)CN)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine?
The InChIKey is BSAFQGVWVCYCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-6-11(13(4,15)7-14)9(2)10(3)12(8)16-5/h6H,7,14-15H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine?
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 116855587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).