4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine

C15H26N2 — CID 107819815

IUPAC4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
SMILESCCCCC(CC)CNc1ccc(N)c(C)c1
InChIInChI=1S/C15H26N2/c1-4-6-7-13(5-2)11-17-14-8-9-15(16)12(3)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3
InChIKeyKLVOWCHPDKPMMF-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.21
Rot. Bonds7

About 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine

4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine (PubChem CID 107819815) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
PubChem CID107819815
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
SMILESCCCCC(CC)CNc1ccc(N)c(C)c1
InChIInChI=1S/C15H26N2/c1-4-6-7-13(5-2)11-17-14-8-9-15(16)12(3)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3
InChIKeyKLVOWCHPDKPMMF-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
3,4-diethoxy-N-(2-ethylhexyl)aniline
CID 63489493
4-(chloromethyl)-N-(2-ethylhexyl)aniline
CID 65026136
1-(4-amino-3-methylphenyl)-3-ethylheptan-1-one
CID 116553874
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
4-(2-ethylhexylsulfinyl)-2-methylaniline
CID 81182649
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine (CID 107819815) is 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine is CCCCC(CC)CNc1ccc(N)c(C)c1.
What is the InChIKey of 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine?
The InChIKey is KLVOWCHPDKPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-7-13(5-2)11-17-14-8-9-15(16)12(3)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3.
What are the key properties of 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine?
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 107819815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).