N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline

C15H16ClNO — CID 62572300

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyCTZUELMGXPDHME-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline

N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline (PubChem CID 62572300) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
PubChem CID62572300
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyCTZUELMGXPDHME-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.14
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-(3-methylphenoxy)ethyl]aniline
CID 60679514
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline (CID 62572300) is N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline is Cc1ccccc1NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline?
The InChIKey is CTZUELMGXPDHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline?
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 62572300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).