2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H22Br2N2 — CID 79543746

IUPAC2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(Br)c(NC2CCCC2C2CCCN2)c(Br)c1
InChIInChI=1S/C16H22Br2N2/c1-10-8-12(17)16(13(18)9-10)20-15-5-2-4-11(15)14-6-3-7-19-14/h8-9,11,14-15,19-20H,2-7H2,1H3
InChIKeyBOOATGJWSSJFBB-UHFFFAOYSA-N
MW402.17 g/mol
LogP4.85
Rot. Bonds3

About 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79543746) has the molecular formula C16H22Br2N2 and a molecular weight of 402.17 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79543746
Molecular FormulaC16H22Br2N2
Molecular Weight402.17 g/mol
Exact Mass400.01
IUPAC Name2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(Br)c(NC2CCCC2C2CCCN2)c(Br)c1
InChIInChI=1S/C16H22Br2N2/c1-10-8-12(17)16(13(18)9-10)20-15-5-2-4-11(15)14-6-3-7-19-14/h8-9,11,14-15,19-20H,2-7H2,1H3
InChIKeyBOOATGJWSSJFBB-UHFFFAOYSA-N
XLogP4.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547
3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536377
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79543746) is 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Cc1cc(Br)c(NC2CCCC2C2CCCN2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is BOOATGJWSSJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2/c1-10-8-12(17)16(13(18)9-10)20-15-5-2-4-11(15)14-6-3-7-19-14/h8-9,11,14-15,19-20H,2-7H2,1H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 402.17 g/mol, XLogP of 4.85, 3 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-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79543746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).