2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline

C15H22Br2N2O — CID 103411701

IUPAC2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(NC(C)CC2CCCCN2)c(Br)cc1Br
InChIInChI=1S/C15H22Br2N2O/c1-10(7-11-5-3-4-6-18-11)19-14-9-15(20-2)13(17)8-12(14)16/h8-11,18-19H,3-7H2,1-2H3
InChIKeyQKWAWGDULSAGFS-UHFFFAOYSA-N
MW406.16 g/mol
LogP4.55
Rot. Bonds5

About 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline

2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 103411701) has the molecular formula C15H22Br2N2O and a molecular weight of 406.16 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID103411701
Molecular FormulaC15H22Br2N2O
Molecular Weight406.16 g/mol
Exact Mass404.01
IUPAC Name2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(NC(C)CC2CCCCN2)c(Br)cc1Br
InChIInChI=1S/C15H22Br2N2O/c1-10(7-11-5-3-4-6-18-11)19-14-9-15(20-2)13(17)8-12(14)16/h8-11,18-19H,3-7H2,1-2H3
InChIKeyQKWAWGDULSAGFS-UHFFFAOYSA-N
XLogP4.55
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 79541568
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 103411701) is 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline is COc1cc(NC(C)CC2CCCCN2)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is QKWAWGDULSAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O/c1-10(7-11-5-3-4-6-18-11)19-14-9-15(20-2)13(17)8-12(14)16/h8-11,18-19H,3-7H2,1-2H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 406.16 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 103411701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).