N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

C13H22N2O — CID 62574597

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-12-4-6-13(7-5-12)15(2)10-8-14-9-11-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyNFAPALKXMMXZJZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.67
Rot. Bonds7

About N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62574597) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62574597
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-12-4-6-13(7-5-12)15(2)10-8-14-9-11-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyNFAPALKXMMXZJZ-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567
N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55197401
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
N,4-dimethyl-N-propylaniline
CID 14671247
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554583
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 62574597) is N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is COCCNCCN(C)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is NFAPALKXMMXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-4-6-13(7-5-12)15(2)10-8-14-9-11-16-3/h4-7,14H,8-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62574597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).