N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline

C17H21NO — CID 62572127

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
SMILESCCc1ccc(OCCNc2ccccc2C)cc1
InChIInChI=1S/C17H21NO/c1-3-15-8-10-16(11-9-15)19-13-12-18-17-7-5-4-6-14(17)2/h4-11,18H,3,12-13H2,1-2H3
InChIKeySNESBEFBFKGMBI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline

N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline (PubChem CID 62572127) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
PubChem CID62572127
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
SMILESCCc1ccc(OCCNc2ccccc2C)cc1
InChIInChI=1S/C17H21NO/c1-3-15-8-10-16(11-9-15)19-13-12-18-17-7-5-4-6-14(17)2/h4-11,18H,3,12-13H2,1-2H3
InChIKeySNESBEFBFKGMBI-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.05
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-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2,4,5-trichloro-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54797646
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline (CID 62572127) is N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline is CCc1ccc(OCCNc2ccccc2C)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline?
The InChIKey is SNESBEFBFKGMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-15-8-10-16(11-9-15)19-13-12-18-17-7-5-4-6-14(17)2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline?
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 62572127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).