2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline

C15H16ClNO2 — CID 115555244

IUPAC2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
SMILESCc1cc(N)c(Cl)cc1OCCOc1ccccc1
InChIInChI=1S/C15H16ClNO2/c1-11-9-14(17)13(16)10-15(11)19-8-7-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3
InChIKeyHYXLBARICIJYEY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline

2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline (PubChem CID 115555244) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
PubChem CID115555244
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
SMILESCc1cc(N)c(Cl)cc1OCCOc1ccccc1
InChIInChI=1S/C15H16ClNO2/c1-11-9-14(17)13(16)10-15(11)19-8-7-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3
InChIKeyHYXLBARICIJYEY-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

4-butoxy-2-chloro-5-methylaniline
CID 115555294
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
6,7-dichloro-1,4,9,10-tetrakis(2-phenoxyethoxy)anthracene
CID 139930261
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
CID 39377062
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline?
The IUPAC name of 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline (CID 115555244) is 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline?
The canonical SMILES for 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline is Cc1cc(N)c(Cl)cc1OCCOc1ccccc1.
What is the InChIKey of 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline?
The InChIKey is HYXLBARICIJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11-9-14(17)13(16)10-15(11)19-8-7-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline?
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline 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 2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 115555244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).