N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline

C19H25NO — CID 54796641

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
SMILESCc1ccc(OCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13-6-7-18(15(3)10-13)21-9-8-20-19-16(4)11-14(2)12-17(19)5/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyCYIFKKQUWZPJSN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.72
Rot. Bonds5

About N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline

N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline (PubChem CID 54796641) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
PubChem CID54796641
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
SMILESCc1ccc(OCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13-6-7-18(15(3)10-13)21-9-8-20-19-16(4)11-14(2)12-17(19)5/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyCYIFKKQUWZPJSN-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.72
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

3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
CID 20661102
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
N-[4-[3-(2,4-dimethylphenoxy)propylamino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 20818467
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796627
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline (CID 54796641) is N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline is Cc1ccc(OCCNc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline?
The InChIKey is CYIFKKQUWZPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-6-7-18(15(3)10-13)21-9-8-20-19-16(4)11-14(2)12-17(19)5/h6-7,10-12,20H,8-9H2,1-5H3.
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline?
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline has a molecular weight of 283.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 54796641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).