4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline

C14H12ClF2NO — CID 54902859

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
SMILESCc1cc(Oc2c(F)cc(N)cc2F)cc(C)c1Cl
InChIInChI=1S/C14H12ClF2NO/c1-7-3-10(4-8(2)13(7)15)19-14-11(16)5-9(18)6-12(14)17/h3-6H,18H2,1-2H3
InChIKeyFDMVXMRSTMDQOT-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.61
Rot. Bonds2

About 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline

4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline (PubChem CID 54902859) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
PubChem CID54902859
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
SMILESCc1cc(Oc2c(F)cc(N)cc2F)cc(C)c1Cl
InChIInChI=1S/C14H12ClF2NO/c1-7-3-10(4-8(2)13(7)15)19-14-11(16)5-9(18)6-12(14)17/h3-6H,18H2,1-2H3
InChIKeyFDMVXMRSTMDQOT-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.61
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-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
CID 64768695
3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
CID 55031499
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625
4-(5-chloropyrimidin-2-yl)oxy-3-fluoro-5-methylaniline
CID 168937901
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
3,5-difluoro-4-(4-methylsulfonylphenoxy)aniline
CID 61015522
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
CID 102987996
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline (CID 54902859) is 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline is Cc1cc(Oc2c(F)cc(N)cc2F)cc(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline?
The InChIKey is FDMVXMRSTMDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-7-3-10(4-8(2)13(7)15)19-14-11(16)5-9(18)6-12(14)17/h3-6H,18H2,1-2H3.
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline?
4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline has a molecular weight of 283.71 g/mol, XLogP of 4.61, 2 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)-3,5-difluoroaniline is sourced from PubChem (CID 54902859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).