1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

C15H26N2O — CID 81059600

IUPAC1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1cc(C)ccc1C
InChIInChI=1S/C15H26N2O/c1-5-18-9-8-17(4)15(11-16)14-10-12(2)6-7-13(14)3/h6-7,10,15H,5,8-9,11,16H2,1-4H3
InChIKeyKGAJKTAZDNBEPT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.27
Rot. Bonds7

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

1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine (PubChem CID 81059600) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
PubChem CID81059600
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1cc(C)ccc1C
InChIInChI=1S/C15H26N2O/c1-5-18-9-8-17(4)15(11-16)14-10-12(2)6-7-13(14)3/h6-7,10,15H,5,8-9,11,16H2,1-4H3
InChIKeyKGAJKTAZDNBEPT-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.27
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-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 81037022
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
1-(2,5-dimethylphenyl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477292
N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 81058699
2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82077390
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine (CID 81059600) is 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine is CCOCCN(C)C(CN)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The InChIKey is KGAJKTAZDNBEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-18-9-8-17(4)15(11-16)14-10-12(2)6-7-13(14)3/h6-7,10,15H,5,8-9,11,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.27, 7 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-methylethane-1,2-diamine is sourced from PubChem (CID 81059600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).