2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline

C14H13ClFNO2 — CID 102702452

IUPAC2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-18-11-3-5-13(17)14(7-11)19-8-9-6-10(16)2-4-12(9)15/h2-7H,8,17H2,1H3
InChIKeyXZCUYVJMVHRZCT-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.65
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline

2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline (PubChem CID 102702452) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
PubChem CID102702452
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-18-11-3-5-13(17)14(7-11)19-8-9-6-10(16)2-4-12(9)15/h2-7H,8,17H2,1H3
InChIKeyXZCUYVJMVHRZCT-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.65
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

4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
3-[(2-chloro-5-fluorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154648134
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline (CID 102702452) is 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline is COc1ccc(N)c(OCc2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline?
The InChIKey is XZCUYVJMVHRZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-18-11-3-5-13(17)14(7-11)19-8-9-6-10(16)2-4-12(9)15/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline?
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline has a molecular weight of 281.71 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 102702452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).