N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine

C11H13BrCl2N2 — CID 62976883

IUPACN-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C11H13BrCl2N2/c1-16-3-2-8(6-16)15-11-9(13)4-7(12)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyUHFXKHBQXRNXCM-UHFFFAOYSA-N
MW324.05 g/mol
LogP3.87
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine

N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 62976883) has the molecular formula C11H13BrCl2N2 and a molecular weight of 324.05 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID62976883
Molecular FormulaC11H13BrCl2N2
Molecular Weight324.05 g/mol
Exact Mass321.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C11H13BrCl2N2/c1-16-3-2-8(6-16)15-11-9(13)4-7(12)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyUHFXKHBQXRNXCM-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
CID 107582028
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 62977093
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
N-(4-bromo-2,6-dichlorophenyl)thian-4-amine
CID 43511379
3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
CID 79532045

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine (CID 62976883) is N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is UHFXKHBQXRNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2/c1-16-3-2-8(6-16)15-11-9(13)4-7(12)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine?
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 324.05 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62976883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).