N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine

C20H28N2O — CID 155531121

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H28N2O/c1-17-5-9-19(10-6-17)22(16-15-21(2)3)14-13-18-7-11-20(23-4)12-8-18/h5-12H,13-16H2,1-4H3
InChIKeyALPPTKFCNACMCN-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.61
Rot. Bonds8

About N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 155531121) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID155531121
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H28N2O/c1-17-5-9-19(10-6-17)22(16-15-21(2)3)14-13-18-7-11-20(23-4)12-8-18/h5-12H,13-16H2,1-4H3
InChIKeyALPPTKFCNACMCN-UHFFFAOYSA-N
XLogP3.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 155531121) is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is ALPPTKFCNACMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-17-5-9-19(10-6-17)22(16-15-21(2)3)14-13-18-7-11-20(23-4)12-8-18/h5-12H,13-16H2,1-4H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 155531121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).