4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine

C14H21BrFNO — CID 156757492

IUPAC4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
SMILESCC(C)Oc1ccc(F)c(Br)c1CC(C)C(C)N
InChIInChI=1S/C14H21BrFNO/c1-8(2)18-13-6-5-12(16)14(15)11(13)7-9(3)10(4)17/h5-6,8-10H,7,17H2,1-4H3
InChIKeyNVFUJEUYVGQECZ-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.90
Rot. Bonds5

About 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine

4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine (PubChem CID 156757492) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
PubChem CID156757492
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
SMILESCC(C)Oc1ccc(F)c(Br)c1CC(C)C(C)N
InChIInChI=1S/C14H21BrFNO/c1-8(2)18-13-6-5-12(16)14(15)11(13)7-9(3)10(4)17/h5-6,8-10H,7,17H2,1-4H3
InChIKeyNVFUJEUYVGQECZ-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde
CID 149275675
tert-butyl N-[(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)methyl]-N-ethylcarbamate
CID 175491921
2-[3-bromo-2-(ethylaminomethyl)-4-fluorophenoxy]propyl carbamate
CID 175221947
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
1-bromo-2,3-difluoro-4-propan-2-yloxybenzene
CID 125116613
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
CID 83893589
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine (CID 156757492) is 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine is CC(C)Oc1ccc(F)c(Br)c1CC(C)C(C)N.
What is the InChIKey of 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine?
The InChIKey is NVFUJEUYVGQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-8(2)18-13-6-5-12(16)14(15)11(13)7-9(3)10(4)17/h5-6,8-10H,7,17H2,1-4H3.
What are the key properties of 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine?
4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine has a molecular weight of 318.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 156757492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).