5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline

C14H12Cl2FNO2 — CID 58021946

IUPAC5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1c(Cl)cc(Cl)cc1COc1ccc(F)c(N)c1
InChIInChI=1S/C14H12Cl2FNO2/c1-19-14-8(4-9(15)5-11(14)16)7-20-10-2-3-12(17)13(18)6-10/h2-6H,7,18H2,1H3
InChIKeyDBSJLFXDCRIHDG-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.30
Rot. Bonds4

About 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline

5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline (PubChem CID 58021946) has the molecular formula C14H12Cl2FNO2 and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline.

Molecular Properties

Compound Name5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
PubChem CID58021946
Molecular FormulaC14H12Cl2FNO2
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
SMILESCOc1c(Cl)cc(Cl)cc1COc1ccc(F)c(N)c1
InChIInChI=1S/C14H12Cl2FNO2/c1-19-14-8(4-9(15)5-11(14)16)7-20-10-2-3-12(17)13(18)6-10/h2-6H,7,18H2,1H3
InChIKeyDBSJLFXDCRIHDG-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58022245
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
3-[(3-chloro-4-fluorophenoxy)methyl]-2-methylaniline
CID 55220354
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
3,5-dichloro-2-methoxyaniline
CID 11217747
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline?
The IUPAC name of 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline (CID 58021946) is 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline.
What is the SMILES notation for 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline?
The canonical SMILES for 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline is COc1c(Cl)cc(Cl)cc1COc1ccc(F)c(N)c1.
What is the InChIKey of 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline?
The InChIKey is DBSJLFXDCRIHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2/c1-19-14-8(4-9(15)5-11(14)16)7-20-10-2-3-12(17)13(18)6-10/h2-6H,7,18H2,1H3.
What are the key properties of 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline?
5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline has a molecular weight of 316.16 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline is sourced from PubChem (CID 58021946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).