2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline

C13H11ClFNO — CID 171921707

IUPAC2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1-c1cc(N)c(Cl)cc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-5-3-2-4-8(13)9-6-12(16)10(14)7-11(9)15/h2-7H,16H2,1H3
InChIKeyRHUGYUAFJCCINW-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline

2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline (PubChem CID 171921707) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
PubChem CID171921707
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1-c1cc(N)c(Cl)cc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-5-3-2-4-8(13)9-6-12(16)10(14)7-11(9)15/h2-7H,16H2,1H3
InChIKeyRHUGYUAFJCCINW-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.74
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-chloro-4-fluoro-5-(2-methylphenyl)aniline
CID 171921703
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
CID 171921721
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline (CID 171921707) is 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline is COc1ccccc1-c1cc(N)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline?
The InChIKey is RHUGYUAFJCCINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-17-13-5-3-2-4-8(13)9-6-12(16)10(14)7-11(9)15/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline?
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline has a molecular weight of 251.69 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline is sourced from PubChem (CID 171921707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).