4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

C14H19BrF2N2 — CID 79536255

IUPAC4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H19BrF2N2/c1-9(6-11-4-2-3-5-18-11)19-14-12(16)7-10(15)8-13(14)17/h7-9,11,18-19H,2-6H2,1H3
InChIKeyOWIQAUZZJRRTME-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.06
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79536255) has the molecular formula C14H19BrF2N2 and a molecular weight of 333.22 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79536255
Molecular FormulaC14H19BrF2N2
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H19BrF2N2/c1-9(6-11-4-2-3-5-18-11)19-14-12(16)7-10(15)8-13(14)17/h7-9,11,18-19H,2-6H2,1H3
InChIKeyOWIQAUZZJRRTME-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79536255) is 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is CC(CC1CCCCN1)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is OWIQAUZZJRRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2/c1-9(6-11-4-2-3-5-18-11)19-14-12(16)7-10(15)8-13(14)17/h7-9,11,18-19H,2-6H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 333.22 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79536255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).