N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine

C12H20N2O — CID 115226672

IUPACN'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCCc1ccc(OC)c(N(C)CNC)c1
InChIInChI=1S/C12H20N2O/c1-5-10-6-7-12(15-4)11(8-10)14(3)9-13-2/h6-8,13H,5,9H2,1-4H3
InChIKeyZHAASKGJIZFHDJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.87
Rot. Bonds5

About N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine

N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine (PubChem CID 115226672) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
PubChem CID115226672
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCCc1ccc(OC)c(N(C)CNC)c1
InChIInChI=1S/C12H20N2O/c1-5-10-6-7-12(15-4)11(8-10)14(3)9-13-2/h6-8,13H,5,9H2,1-4H3
InChIKeyZHAASKGJIZFHDJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.87
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

N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
CID 115226740
N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 155027571
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine (CID 115226672) is N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine is CCc1ccc(OC)c(N(C)CNC)c1.
What is the InChIKey of N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is ZHAASKGJIZFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-10-6-7-12(15-4)11(8-10)14(3)9-13-2/h6-8,13H,5,9H2,1-4H3.
What are the key properties of N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 208.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).