2-chloro-6-(2,3,5-trimethylphenoxy)aniline

C15H16ClNO — CID 113458731

IUPAC2-chloro-6-(2,3,5-trimethylphenoxy)aniline
SMILESCc1cc(C)c(C)c(Oc2cccc(Cl)c2N)c1
InChIInChI=1S/C15H16ClNO/c1-9-7-10(2)11(3)14(8-9)18-13-6-4-5-12(16)15(13)17/h4-8H,17H2,1-3H3
InChIKeyAJTXKUYCWBOSMW-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.64
Rot. Bonds2

About 2-chloro-6-(2,3,5-trimethylphenoxy)aniline

2-chloro-6-(2,3,5-trimethylphenoxy)aniline (PubChem CID 113458731) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-6-(2,3,5-trimethylphenoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(2,3,5-trimethylphenoxy)aniline
PubChem CID113458731
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-6-(2,3,5-trimethylphenoxy)aniline
SMILESCc1cc(C)c(C)c(Oc2cccc(Cl)c2N)c1
InChIInChI=1S/C15H16ClNO/c1-9-7-10(2)11(3)14(8-9)18-13-6-4-5-12(16)15(13)17/h4-8H,17H2,1-3H3
InChIKeyAJTXKUYCWBOSMW-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-amino-3-(2,3,5-trimethylphenoxy)benzonitrile
CID 104717183
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
2-chloro-6-(2,5-dichlorophenoxy)aniline
CID 113458716
5-chloro-6-(2,3,5-trimethylphenoxy)pyridin-3-amine
CID 114046382
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
2-fluoro-6-(2,3,5-trimethylphenoxy)benzenecarbothioamide
CID 79519677
1-[3-chloro-4-(2,3,5-trimethylphenoxy)phenyl]ethanone
CID 63533846
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
CID 62663989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,5-trimethylphenoxy)aniline?
The IUPAC name of 2-chloro-6-(2,3,5-trimethylphenoxy)aniline (CID 113458731) is 2-chloro-6-(2,3,5-trimethylphenoxy)aniline.
What is the SMILES notation for 2-chloro-6-(2,3,5-trimethylphenoxy)aniline?
The canonical SMILES for 2-chloro-6-(2,3,5-trimethylphenoxy)aniline is Cc1cc(C)c(C)c(Oc2cccc(Cl)c2N)c1.
What is the InChIKey of 2-chloro-6-(2,3,5-trimethylphenoxy)aniline?
The InChIKey is AJTXKUYCWBOSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-9-7-10(2)11(3)14(8-9)18-13-6-4-5-12(16)15(13)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-chloro-6-(2,3,5-trimethylphenoxy)aniline?
2-chloro-6-(2,3,5-trimethylphenoxy)aniline has a molecular weight of 261.75 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,5-trimethylphenoxy)aniline is sourced from PubChem (CID 113458731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).