N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine

C22H32N2O — CID 67533640

IUPACN'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(C)(C)C)cc1NCCNc1ccccc1CC
InChIInChI=1S/C22H32N2O/c1-6-17-10-8-9-11-19(17)23-14-15-24-20-16-18(22(3,4)5)12-13-21(20)25-7-2/h8-13,16,23-24H,6-7,14-15H2,1-5H3
InChIKeyKCLPCGQKXBUTIM-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.47
Rot. Bonds8

About N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine

N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine (PubChem CID 67533640) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
PubChem CID67533640
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(C)(C)C)cc1NCCNc1ccccc1CC
InChIInChI=1S/C22H32N2O/c1-6-17-10-8-9-11-19(17)23-14-15-24-20-16-18(22(3,4)5)12-13-21(20)25-7-2/h8-13,16,23-24H,6-7,14-15H2,1-5H3
InChIKeyKCLPCGQKXBUTIM-UHFFFAOYSA-N
XLogP5.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.47
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

5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2-ethylphenyl)urea
CID 108882145
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
CID 22165806
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
N-[(3-ethoxy-5-iodo-4-methoxyphenyl)methyl]-2-ethylaniline
CID 126120875
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
CID 66485819
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
N-(3,3-diethoxypropyl)-2-ethylaniline
CID 81094600

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine (CID 67533640) is N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine is CCOc1ccc(C(C)(C)C)cc1NCCNc1ccccc1CC.
What is the InChIKey of N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine?
The InChIKey is KCLPCGQKXBUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-6-17-10-8-9-11-19(17)23-14-15-24-20-16-18(22(3,4)5)12-13-21(20)25-7-2/h8-13,16,23-24H,6-7,14-15H2,1-5H3.
What are the key properties of N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine?
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine has a molecular weight of 340.51 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 67533640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).