N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine

C13H22N2O — CID 115226227

IUPACN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1c(C)cc(C)cc1CCN(C)CN
InChIInChI=1S/C13H22N2O/c1-10-7-11(2)13(16-4)12(8-10)5-6-15(3)9-14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyLVESBQMFTLMEJS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.70
Rot. Bonds5

About N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine (PubChem CID 115226227) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
PubChem CID115226227
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1c(C)cc(C)cc1CCN(C)CN
InChIInChI=1S/C13H22N2O/c1-10-7-11(2)13(16-4)12(8-10)5-6-15(3)9-14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyLVESBQMFTLMEJS-UHFFFAOYSA-N
XLogP1.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
CID 115235166
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136038

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine (CID 115226227) is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine is COc1c(C)cc(C)cc1CCN(C)CN.
What is the InChIKey of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine?
The InChIKey is LVESBQMFTLMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-7-11(2)13(16-4)12(8-10)5-6-15(3)9-14/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine?
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine has a molecular weight of 222.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).