1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

C15H26N2 — CID 115222418

IUPAC1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccc(C)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-11-15(3,4)16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyMRFOPYQMWGIRFL-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.43
Rot. Bonds6

About 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222418) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222418
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccc(C)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-11-15(3,4)16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyMRFOPYQMWGIRFL-UHFFFAOYSA-N
XLogP2.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
CID 115258819
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136210
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222418) is 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCCc1ccc(C)cc1C.
What is the InChIKey of 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is MRFOPYQMWGIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-11-15(3,4)16-5/h6-7,10,16-17H,8-9,11H2,1-5H3.
What are the key properties of 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).