1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine

C10H16N2O — CID 116954416

IUPAC1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccccc1OC
InChIInChI=1S/C10H16N2O/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10-12H,1-3H3
InChIKeyGRHGEYCNZKQHRI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.13
Rot. Bonds4

About 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine

1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954416) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954416
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccccc1OC
InChIInChI=1S/C10H16N2O/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10-12H,1-3H3
InChIKeyGRHGEYCNZKQHRI-UHFFFAOYSA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
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-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
bis(2-methoxyphenyl)methylhydrazine
CID 105191029
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine (CID 116954416) is 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine is CNC(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is GRHGEYCNZKQHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10-12H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine?
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 180.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).