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

C15H26N2 — CID 115132904

IUPAC2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-15(3,4)11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyGTAPNWOEVYKMDV-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.43
Rot. Bonds6

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

2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132904) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132904
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-15(3,4)11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyGTAPNWOEVYKMDV-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

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Related Compounds

1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132903
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
CID 115258819
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132904) is 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCCc1ccc(C)cc1C.
What is the InChIKey of 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is GTAPNWOEVYKMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17-15(3,4)11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3.
What are the key properties of 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-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 2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).