1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine

C16H28N2O — CID 81056552

IUPAC1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C16H28N2O/c1-6-19-10-9-18(5)12-16(17-4)15-11-13(2)7-8-14(15)3/h7-8,11,16-17H,6,9-10,12H2,1-5H3
InChIKeyQILBERXZQBGSAD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 81056552) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID81056552
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCOCCN(C)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C16H28N2O/c1-6-19-10-9-18(5)12-16(17-4)15-11-13(2)7-8-14(15)3/h7-8,11,16-17H,6,9-10,12H2,1-5H3
InChIKeyQILBERXZQBGSAD-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
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'-methyl-N-propylethane-1,2-diamine
CID 81037022
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N'-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63695016
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330
1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059600
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
CID 63469586
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine (CID 81056552) is 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine is CCOCCN(C)CC(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QILBERXZQBGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-10-9-18(5)12-16(17-4)15-11-13(2)7-8-14(15)3/h7-8,11,16-17H,6,9-10,12H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 81056552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).