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

C15H15ClFNO — CID 61221526

IUPACN-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(11-4-3-5-12(16)8-11)18-14-7-6-13(17)9-15(14)19-2/h3-10,18H,1-2H3
InChIKeyJJVDDOAKWGIEBP-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.66
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline (PubChem CID 61221526) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
PubChem CID61221526
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(11-4-3-5-12(16)8-11)18-14-7-6-13(17)9-15(14)19-2/h3-10,18H,1-2H3
InChIKeyJJVDDOAKWGIEBP-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
4-[(1R)-1-(4-fluoro-2-methoxyanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337881
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline (CID 61221526) is N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline is COc1cc(F)ccc1NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
The InChIKey is JJVDDOAKWGIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(11-4-3-5-12(16)8-11)18-14-7-6-13(17)9-15(14)19-2/h3-10,18H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline?
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline has a molecular weight of 279.74 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 61221526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).