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

C15H14BrF2NO — CID 82857420

IUPAC4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(10-5-11(17)7-12(18)6-10)19-13-3-4-14(16)15(8-13)20-2/h3-9,19H,1-2H3
InChIKeyQROZGAFCMLAYSJ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.91
Rot. Bonds4

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

4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline (PubChem CID 82857420) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
PubChem CID82857420
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(10-5-11(17)7-12(18)6-10)19-13-3-4-14(16)15(8-13)20-2/h3-9,19H,1-2H3
InChIKeyQROZGAFCMLAYSJ-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-bromo-3-methoxyanilino)ethyl]benzonitrile
CID 82858531
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
4-bromo-3-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 82857351
4-bromo-3-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 114265813
4-[1-(4-bromo-3-methoxyanilino)ethyl]-3-fluorophenol
CID 107715362
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline (CID 82857420) is 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline is COc1cc(NC(C)c2cc(F)cc(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline?
The InChIKey is QROZGAFCMLAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(10-5-11(17)7-12(18)6-10)19-13-3-4-14(16)15(8-13)20-2/h3-9,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline?
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline has a molecular weight of 342.18 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 82857420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).