4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline

C15H15ClFNO — CID 64768695

IUPAC4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
SMILESCc1cc(OCc2ccc(N)cc2F)cc(C)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7H,8,18H2,1-2H3
InChIKeyUJBOOHVHVZOCGB-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.26
Rot. Bonds3

About 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline

4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline (PubChem CID 64768695) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
PubChem CID64768695
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
SMILESCc1cc(OCc2ccc(N)cc2F)cc(C)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7H,8,18H2,1-2H3
InChIKeyUJBOOHVHVZOCGB-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.26
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-[(4-chloro-3,5-dimethylphenoxy)methyl]aniline
CID 22688136
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
CID 114847555
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
4-[(4-bromo-3-fluorophenoxy)methyl]-3-chloroaniline
CID 65203491
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline?
The IUPAC name of 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline (CID 64768695) is 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline is Cc1cc(OCc2ccc(N)cc2F)cc(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline?
The InChIKey is UJBOOHVHVZOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7H,8,18H2,1-2H3.
What are the key properties of 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline?
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline has a molecular weight of 279.74 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline is sourced from PubChem (CID 64768695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).