2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline

C17H20ClNO2 — CID 107634679

IUPAC2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
SMILESCCOc1ccccc1OCCNc1cc(C)ccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-11-10-19-15-12-13(2)8-9-14(15)18/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyCZNCVJXQDBIJEQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.54
Rot. Bonds7

About 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline

2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline (PubChem CID 107634679) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
PubChem CID107634679
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
SMILESCCOc1ccccc1OCCNc1cc(C)ccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-11-10-19-15-12-13(2)8-9-14(15)18/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyCZNCVJXQDBIJEQ-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.54
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

2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
CID 107635868
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4,5-trichloroaniline
CID 54797761
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796234
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline (CID 107634679) is 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline is CCOc1ccccc1OCCNc1cc(C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline?
The InChIKey is CZNCVJXQDBIJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-11-10-19-15-12-13(2)8-9-14(15)18/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline?
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline has a molecular weight of 305.81 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline is sourced from PubChem (CID 107634679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).