3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline

C15H16ClNO2 — CID 39377062

IUPAC3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCCOc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-11-6-7-12(17)10-15(11)19-9-8-18-14-5-3-2-4-13(14)16/h2-7,10H,8-9,17H2,1H3
InChIKeySBWNYHKAOFULDK-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.69
Rot. Bonds5

About 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline

3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline (PubChem CID 39377062) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
PubChem CID39377062
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCCOc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-11-6-7-12(17)10-15(11)19-9-8-18-14-5-3-2-4-13(14)16/h2-7,10H,8-9,17H2,1H3
InChIKeySBWNYHKAOFULDK-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79140785
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
3-hexadecoxy-4-methylaniline
CID 57081496
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
CID 115555244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline?
The IUPAC name of 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline (CID 39377062) is 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline?
The canonical SMILES for 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline is Cc1ccc(N)cc1OCCOc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline?
The InChIKey is SBWNYHKAOFULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11-6-7-12(17)10-15(11)19-9-8-18-14-5-3-2-4-13(14)16/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline?
3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline has a molecular weight of 277.75 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline is sourced from PubChem (CID 39377062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).