4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline

C15H15BrFNO — CID 43192619

IUPAC4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(11-3-6-13(19-2)7-4-11)18-15-8-5-12(16)9-14(15)17/h3-10,18H,1-2H3
InChIKeyIEWKGJZHTNCDJG-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.77
Rot. Bonds4

About 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline

4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 43192619) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID43192619
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(11-3-6-13(19-2)7-4-11)18-15-8-5-12(16)9-14(15)17/h3-10,18H,1-2H3
InChIKeyIEWKGJZHTNCDJG-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
CID 43759736
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
1-(4-bromo-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643161
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
3-fluoro-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195091
4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43096586
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline (CID 43192619) is 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is IEWKGJZHTNCDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(11-3-6-13(19-2)7-4-11)18-15-8-5-12(16)9-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline?
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 324.19 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).