1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine

C12H20N2O — CID 116909094

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
SMILESCOc1c(C)cc(C)cc1C(N)N(C)C
InChIInChI=1S/C12H20N2O/c1-8-6-9(2)11(15-5)10(7-8)12(13)14(3)4/h6-7,12H,13H2,1-5H3
InChIKeyHOOMIBSNCFLVNA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine

1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine (PubChem CID 116909094) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
PubChem CID116909094
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
SMILESCOc1c(C)cc(C)cc1C(N)N(C)C
InChIInChI=1S/C12H20N2O/c1-8-6-9(2)11(15-5)10(7-8)12(13)14(3)4/h6-7,12H,13H2,1-5H3
InChIKeyHOOMIBSNCFLVNA-UHFFFAOYSA-N
XLogP1.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.83
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

1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116848944
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116913355
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905902
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine (CID 116909094) is 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine is COc1c(C)cc(C)cc1C(N)N(C)C.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine?
The InChIKey is HOOMIBSNCFLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-9(2)11(15-5)10(7-8)12(13)14(3)4/h6-7,12H,13H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine?
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine has a molecular weight of 208.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine is sourced from PubChem (CID 116909094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).