N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C20H28N2O — CID 54805651

IUPACN-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C20H28N2O/c1-14(2)23-19-9-7-6-8-18(19)21-10-11-22-20-16(4)12-15(3)13-17(20)5/h6-9,12-14,21-22H,10-11H2,1-5H3
InChIKeyDKNWKPJRIUUXJB-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.92
Rot. Bonds7

About N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 54805651) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID54805651
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C20H28N2O/c1-14(2)23-19-9-7-6-8-18(19)21-10-11-22-20-16(4)12-15(3)13-17(20)5/h6-9,12-14,21-22H,10-11H2,1-5H3
InChIKeyDKNWKPJRIUUXJB-UHFFFAOYSA-N
XLogP4.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805607
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 54805651) is N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCNc2ccccc2OC(C)C)c(C)c1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is DKNWKPJRIUUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14(2)23-19-9-7-6-8-18(19)21-10-11-22-20-16(4)12-15(3)13-17(20)5/h6-9,12-14,21-22H,10-11H2,1-5H3.
What are the key properties of N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).