2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline

C16H19NO — CID 60679514

IUPAC2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2ccccc2C)c1
InChIInChI=1S/C16H19NO/c1-13-6-5-8-15(12-13)18-11-10-17-16-9-4-3-7-14(16)2/h3-9,12,17H,10-11H2,1-2H3
InChIKeyJDTQFVCJYNAUCU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline

2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline (PubChem CID 60679514) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
PubChem CID60679514
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2ccccc2C)c1
InChIInChI=1S/C16H19NO/c1-13-6-5-8-15(12-13)18-11-10-17-16-9-4-3-7-14(16)2/h3-9,12,17H,10-11H2,1-2H3
InChIKeyJDTQFVCJYNAUCU-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

2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline (CID 60679514) is 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline is Cc1cccc(OCCNc2ccccc2C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The InChIKey is JDTQFVCJYNAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-6-5-8-15(12-13)18-11-10-17-16-9-4-3-7-14(16)2/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline?
2-methyl-N-[2-(3-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-(3-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 60679514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).