N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline

C15H14ClF2NO — CID 61221357

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(10-3-5-13(18)12(16)7-10)19-14-6-4-11(17)8-15(14)20-2/h3-9,19H,1-2H3
InChIKeyIUBTXGWUMJRWOX-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline

N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline (PubChem CID 61221357) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
PubChem CID61221357
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(10-3-5-13(18)12(16)7-10)19-14-6-4-11(17)8-15(14)20-2/h3-9,19H,1-2H3
InChIKeyIUBTXGWUMJRWOX-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

N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline (CID 61221357) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline is COc1cc(F)ccc1NC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The InChIKey is IUBTXGWUMJRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(10-3-5-13(18)12(16)7-10)19-14-6-4-11(17)8-15(14)20-2/h3-9,19H,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-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 N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 61221357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).