N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline

C18H23NO — CID 54796581

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NCCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-6-8-17(16(4)11-13)19-9-10-20-18-12-14(2)5-7-15(18)3/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyLNJQJUZAXAQMCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline

N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline (PubChem CID 54796581) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
PubChem CID54796581
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NCCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-6-8-17(16(4)11-13)19-9-10-20-18-12-14(2)5-7-15(18)3/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyLNJQJUZAXAQMCR-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796234
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
5-(2,4-dimethylanilino)pentanenitrile
CID 60679541
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
CID 60690317
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline (CID 54796581) is N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline is Cc1ccc(NCCOc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline?
The InChIKey is LNJQJUZAXAQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-6-8-17(16(4)11-13)19-9-10-20-18-12-14(2)5-7-15(18)3/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline?
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 54796581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).