N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine

C13H22N2O — CID 115227004

IUPACN'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCCc1ccc(OC)c(CN(C)CNC)c1
InChIInChI=1S/C13H22N2O/c1-5-11-6-7-13(16-4)12(8-11)9-15(3)10-14-2/h6-8,14H,5,9-10H2,1-4H3
InChIKeyFISNZKSMAGMTHI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.87
Rot. Bonds6

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

N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (PubChem CID 115227004) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
PubChem CID115227004
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCCc1ccc(OC)c(CN(C)CNC)c1
InChIInChI=1S/C13H22N2O/c1-5-11-6-7-13(16-4)12(8-11)9-15(3)10-14-2/h6-8,14H,5,9-10H2,1-4H3
InChIKeyFISNZKSMAGMTHI-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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

[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202
N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227073
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (CID 115227004) is N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine is CCc1ccc(OC)c(CN(C)CNC)c1.
What is the InChIKey of N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The InChIKey is FISNZKSMAGMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-11-6-7-13(16-4)12(8-11)9-15(3)10-14-2/h6-8,14H,5,9-10H2,1-4H3.
What are the key properties of N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine has a molecular weight of 222.33 g/mol, XLogP of 1.87, 6 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)methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115227004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).