N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine

C19H26N2O — CID 67643101

IUPACN'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCNC(CNCc1cc(C)c(C)cc1OC)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-14-10-17(19(22-4)11-15(14)2)12-21-13-18(20-3)16-8-6-5-7-9-16/h5-11,18,20-21H,12-13H2,1-4H3
InChIKeyYYLNCGHOCGHPET-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.36
Rot. Bonds7

About N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine

N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 67643101) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
PubChem CID67643101
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCNC(CNCc1cc(C)c(C)cc1OC)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-14-10-17(19(22-4)11-15(14)2)12-21-13-18(20-3)16-8-6-5-7-9-16/h5-11,18,20-21H,12-13H2,1-4H3
InChIKeyYYLNCGHOCGHPET-UHFFFAOYSA-N
XLogP3.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 67729251
N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
CID 67641775
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propanoic acid
CID 115240667
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127047987
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111916640
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine (CID 67643101) is N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine is CNC(CNCc1cc(C)c(C)cc1OC)c1ccccc1.
What is the InChIKey of N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is YYLNCGHOCGHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-10-17(19(22-4)11-15(14)2)12-21-13-18(20-3)16-8-6-5-7-9-16/h5-11,18,20-21H,12-13H2,1-4H3.
What are the key properties of N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 67643101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).