2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

C16H19NO — CID 60679505

IUPAC2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2ccccc2C)cc1
InChIInChI=1S/C16H19NO/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3
InChIKeyQXNFZGWILWEJIO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 60679505) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID60679505
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2ccccc2C)cc1
InChIInChI=1S/C16H19NO/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3
InChIKeyQXNFZGWILWEJIO-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.79
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

N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (CID 60679505) is 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OCCNc2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is QXNFZGWILWEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 60679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).