4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline

C12H15BrCl2N2 — CID 114014994

IUPAC4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCN1CCCC1
InChIInChI=1S/C12H15BrCl2N2/c13-9-7-10(14)12(11(15)8-9)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6H2
InChIKeyOTTDXNOAMCVJEX-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.26
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline

4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 114014994) has the molecular formula C12H15BrCl2N2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID114014994
Molecular FormulaC12H15BrCl2N2
Molecular Weight338.08 g/mol
Exact Mass335.98
IUPAC Name4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCN1CCCC1
InChIInChI=1S/C12H15BrCl2N2/c13-9-7-10(14)12(11(15)8-9)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6H2
InChIKeyOTTDXNOAMCVJEX-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82088072
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
5-chloro-6-fluoro-1-N-(2-piperidin-1-ylethyl)benzene-1,2,4-triamine
CID 103552870

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline (CID 114014994) is 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline is Clc1cc(Br)cc(Cl)c1NCCN1CCCC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is OTTDXNOAMCVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2/c13-9-7-10(14)12(11(15)8-9)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline?
4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 338.08 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 114014994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).