2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline

C14H13ClFNO — CID 103591054

IUPAC2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
SMILESCc1cc(Oc2cc(Cl)ccc2C)c(N)cc1F
InChIInChI=1S/C14H13ClFNO/c1-8-3-4-10(15)6-13(8)18-14-5-9(2)11(16)7-12(14)17/h3-7H,17H2,1-2H3
InChIKeySVHPXSSTDKXDRX-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline

2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline (PubChem CID 103591054) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
PubChem CID103591054
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
SMILESCc1cc(Oc2cc(Cl)ccc2C)c(N)cc1F
InChIInChI=1S/C14H13ClFNO/c1-8-3-4-10(15)6-13(8)18-14-5-9(2)11(16)7-12(14)17/h3-7H,17H2,1-2H3
InChIKeySVHPXSSTDKXDRX-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.47
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

4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
3,5-dichloro-4-(5-chloro-2-methylphenoxy)aniline
CID 106891037
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
2-(2-amino-4-fluoro-5-methylphenoxy)benzamide
CID 103590954
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
CID 114046402
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline (CID 103591054) is 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline is Cc1cc(Oc2cc(Cl)ccc2C)c(N)cc1F.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline?
The InChIKey is SVHPXSSTDKXDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-8-3-4-10(15)6-13(8)18-14-5-9(2)11(16)7-12(14)17/h3-7H,17H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline?
2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline has a molecular weight of 265.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline is sourced from PubChem (CID 103591054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).