5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline

C15H14ClF2NO — CID 43110360

IUPAC5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(10-3-5-12(17)13(18)7-10)19-14-8-11(16)4-6-15(14)20-2/h3-9,19H,1-2H3
InChIKeyZCRSBLKJBALFMI-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.80
Rot. Bonds4

About 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline

5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline (PubChem CID 43110360) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
PubChem CID43110360
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(10-3-5-12(17)13(18)7-10)19-14-8-11(16)4-6-15(14)20-2/h3-9,19H,1-2H3
InChIKeyZCRSBLKJBALFMI-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
3-[1-(5-chloro-2-methoxyanilino)ethyl]phenol
CID 43193345
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
3-bromo-5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43689304
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2,4-dibromo-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxyaniline
CID 103411093
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline (CID 43110360) is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline is COc1ccc(Cl)cc1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline?
The InChIKey is ZCRSBLKJBALFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(10-3-5-12(17)13(18)7-10)19-14-8-11(16)4-6-15(14)20-2/h3-9,19H,1-2H3.
What are the key properties of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline?
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline has a molecular weight of 297.73 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 43110360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).