3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline

C13H9Cl3FNO — CID 102855336

IUPAC3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
SMILESNc1cc(Cl)c(OCc2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(12(9)17)6-19-13-10(15)4-8(18)5-11(13)16/h1-5H,6,18H2
InChIKeyWFYSXOKQLNLTQL-UHFFFAOYSA-N
MW320.58 g/mol
LogP4.95
Rot. Bonds3

About 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline

3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline (PubChem CID 102855336) has the molecular formula C13H9Cl3FNO and a molecular weight of 320.58 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
PubChem CID102855336
Molecular FormulaC13H9Cl3FNO
Molecular Weight320.58 g/mol
Exact Mass318.97
IUPAC Name3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
SMILESNc1cc(Cl)c(OCc2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(12(9)17)6-19-13-10(15)4-8(18)5-11(13)16/h1-5H,6,18H2
InChIKeyWFYSXOKQLNLTQL-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.58
LogP ≤ 54.95
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-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
(3-chloro-2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199283
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
4-[(2,6-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117337
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
3-[(4-amino-2-chlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113722
3-[(4-amino-2,6-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 43351659
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline?
The IUPAC name of 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline (CID 102855336) is 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline is Nc1cc(Cl)c(OCc2cccc(Cl)c2F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline?
The InChIKey is WFYSXOKQLNLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(12(9)17)6-19-13-10(15)4-8(18)5-11(13)16/h1-5H,6,18H2.
What are the key properties of 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline?
3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline has a molecular weight of 320.58 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 102855336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).