N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline

C17H21NO2 — CID 54798120

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCOc1cc(C)ccc1C
InChIInChI=1S/C17H21NO2/c1-13-8-9-14(2)17(12-13)20-11-10-18-15-6-4-5-7-16(15)19-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyOMQKNTOHNPCSHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.80
Rot. Bonds6

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

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline (PubChem CID 54798120) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
PubChem CID54798120
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCOc1cc(C)ccc1C
InChIInChI=1S/C17H21NO2/c1-13-8-9-14(2)17(12-13)20-11-10-18-15-6-4-5-7-16(15)19-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyOMQKNTOHNPCSHM-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methoxyaniline
CID 54798140
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-2-methylaniline
CID 79407221
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
2-butoxy-N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]aniline
CID 54855832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline (CID 54798120) is N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline is COc1ccccc1NCCOc1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline?
The InChIKey is OMQKNTOHNPCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-8-9-14(2)17(12-13)20-11-10-18-15-6-4-5-7-16(15)19-3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline?
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline has a molecular weight of 271.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline is sourced from PubChem (CID 54798120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).