N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

C13H23ClN2O — CID 120843594

IUPACN'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C)c(OC)c1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11-5-6-12(9-13(11)16-4)10-15(3)8-7-14-2;/h5-6,9,14H,7-8,10H2,1-4H3;1H
InChIKeyIENUFEZGOLEBSQ-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.08
Rot. Bonds6

About N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 120843594) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID120843594
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C)c(OC)c1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11-5-6-12(9-13(11)16-4)10-15(3)8-7-14-2;/h5-6,9,14H,7-8,10H2,1-4H3;1H
InChIKeyIENUFEZGOLEBSQ-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843633
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
N'-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843682
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 120843594) is N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1ccc(C)c(OC)c1.Cl.
What is the InChIKey of N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is IENUFEZGOLEBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-11-5-6-12(9-13(11)16-4)10-15(3)8-7-14-2;/h5-6,9,14H,7-8,10H2,1-4H3;1H.
What are the key properties of N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120843594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).