4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline

C15H15BrFNO — CID 67925820

IUPAC4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1cccc(Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,1-2H3
InChIKeyRHVQJLHHHLJGIA-UHFFFAOYSA-N
MW324.19 g/mol
LogP5.12
Rot. Bonds4

About 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline

4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline (PubChem CID 67925820) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline
PubChem CID67925820
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1cccc(Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,1-2H3
InChIKeyRHVQJLHHHLJGIA-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.19
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 54794975
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
N-[(4-bromo-2-fluorophenyl)methyl]-3-butan-2-yloxyaniline
CID 63477988
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
3-(4-bromo-2-fluoroanilino)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 4045664
3-N-(2-fluoro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721679
1-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 55131320
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
1-(4-bromo-2-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636081

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline (CID 67925820) is 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline is CC(C)Oc1cccc(Nc2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline?
The InChIKey is RHVQJLHHHLJGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(2)19-13-5-3-4-12(9-13)18-15-7-6-11(16)8-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline?
4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline has a molecular weight of 324.19 g/mol, XLogP of 5.12, 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-(3-propan-2-yloxyphenyl)aniline is sourced from PubChem (CID 67925820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).