N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline

C19H25NO2 — CID 54802500

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
SMILESCc1ccc(OCCNc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C19H25NO2/c1-14(2)22-19-8-6-5-7-17(19)20-11-12-21-18-10-9-15(3)13-16(18)4/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeyJBYCFKGXHIIPHB-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.58
Rot. Bonds7

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline

N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline (PubChem CID 54802500) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
PubChem CID54802500
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
SMILESCc1ccc(OCCNc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C19H25NO2/c1-14(2)22-19-8-6-5-7-17(19)20-11-12-21-18-10-9-15(3)13-16(18)4/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeyJBYCFKGXHIIPHB-UHFFFAOYSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796234
1-(2-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline (CID 54802500) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline is Cc1ccc(OCCNc2ccccc2OC(C)C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline?
The InChIKey is JBYCFKGXHIIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)22-19-8-6-5-7-17(19)20-11-12-21-18-10-9-15(3)13-16(18)4/h5-10,13-14,20H,11-12H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline has a molecular weight of 299.41 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 54802500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).