2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C14H20Br2N2 — CID 79540891

IUPAC2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)CC2CCCN2)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c1-9-6-12(15)14(13(16)7-9)18-10(2)8-11-4-3-5-17-11/h6-7,10-11,17-18H,3-5,8H2,1-2H3
InChIKeyPLYQRQCDZKPKTE-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.46
Rot. Bonds4

About 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79540891) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79540891
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)CC2CCCN2)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c1-9-6-12(15)14(13(16)7-9)18-10(2)8-11-4-3-5-17-11/h6-7,10-11,17-18H,3-5,8H2,1-2H3
InChIKeyPLYQRQCDZKPKTE-UHFFFAOYSA-N
XLogP4.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
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
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 79541568

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79540891) is 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is Cc1cc(Br)c(NC(C)CC2CCCN2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is PLYQRQCDZKPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-9-6-12(15)14(13(16)7-9)18-10(2)8-11-4-3-5-17-11/h6-7,10-11,17-18H,3-5,8H2,1-2H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 376.14 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79540891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).