N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

C15H26N2O — CID 63692696

IUPACN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNc1ccc(C)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyNYZYBFMFOLYCPV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.77
Rot. Bonds9

About N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63692696) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63692696
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNc1ccc(C)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyNYZYBFMFOLYCPV-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63692867
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 62555539
N'-ethyl-N'-[2-(4-nitroanilino)ethyl]-N-(4-nitrophenyl)ethane-1,2-diamine
CID 58794849
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201
3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
CID 58662238

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 63692696) is N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is CCOCCN(CC)CCNc1ccc(C)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is NYZYBFMFOLYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63692696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).