N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine

C22H32N2O2 — CID 54808031

IUPACN,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
SMILESCC(C)COc1ccc(NCCNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(2)15-25-21-9-5-19(6-10-21)23-13-14-24-20-7-11-22(12-8-20)26-16-18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3
InChIKeyUZONKXIWUUUAEG-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.28
Rot. Bonds11

About N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine

N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine (PubChem CID 54808031) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
PubChem CID54808031
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
SMILESCC(C)COc1ccc(NCCNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H32N2O2/c1-17(2)15-25-21-9-5-19(6-10-21)23-13-14-24-20-7-11-22(12-8-20)26-16-18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3
InChIKeyUZONKXIWUUUAEG-UHFFFAOYSA-N
XLogP5.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799152
N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808541
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
CID 83946331
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
sodium 2-[4-(2-methylpropoxy)anilino]acetate
CID 23687419
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799143
4-(2-methylpropoxy)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308633
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine (CID 54808031) is N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine is CC(C)COc1ccc(NCCNc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine?
The InChIKey is UZONKXIWUUUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(2)15-25-21-9-5-19(6-10-21)23-13-14-24-20-7-11-22(12-8-20)26-16-18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3.
What are the key properties of N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine?
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine has a molecular weight of 356.51 g/mol, XLogP of 5.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 54808031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).