2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine

C15H26N2 — CID 55072258

IUPAC2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(C)CNC(C)C
InChIInChI=1S/C15H26N2/c1-6-17(14(5)11-16-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11H2,1-5H3
InChIKeyGWKDBBXZOPKQDA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds6

About 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine

2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55072258) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55072258
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(C)CNC(C)C
InChIInChI=1S/C15H26N2/c1-6-17(14(5)11-16-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11H2,1-5H3
InChIKeyGWKDBBXZOPKQDA-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-ethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072177
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424029
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62435825
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62438662
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 114054861
2-(4-methylphenyl)-3-(propan-2-ylamino)propanal
CID 91120668
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
N-ethyl-N,4-dimethylaniline
CID 3036494

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 55072258) is 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine is CCN(c1ccc(C)cc1)C(C)CNC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is GWKDBBXZOPKQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(14(5)11-16-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(4-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55072258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).