1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

C17H30N2O — CID 63695773

IUPAC1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CC(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H30N2O/c1-6-19(10-11-20-7-2)13-17(18-5)16-9-8-14(3)15(4)12-16/h8-9,12,17-18H,6-7,10-11,13H2,1-5H3
InChIKeyUTOMIKRHMQGXLT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.92
Rot. Bonds9

About 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 63695773) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID63695773
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CC(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H30N2O/c1-6-19(10-11-20-7-2)13-17(18-5)16-9-8-14(3)15(4)12-16/h8-9,12,17-18H,6-7,10-11,13H2,1-5H3
InChIKeyUTOMIKRHMQGXLT-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.92
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

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 55139909
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 63697022
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63468338
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (CID 63695773) is 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine is CCOCCN(CC)CC(NC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is UTOMIKRHMQGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-19(10-11-20-7-2)13-17(18-5)16-9-8-14(3)15(4)12-16/h8-9,12,17-18H,6-7,10-11,13H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63695773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).