N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine

C10H12BrClN2 — CID 81264104

IUPACN-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(Br)c(NC2CCNC2)c1
InChIInChI=1S/C10H12BrClN2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyWJWJKTROYMJNOF-UHFFFAOYSA-N
MW275.58 g/mol
LogP2.88
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine

N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine (PubChem CID 81264104) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
PubChem CID81264104
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC NameN-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(Br)c(NC2CCNC2)c1
InChIInChI=1S/C10H12BrClN2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyWJWJKTROYMJNOF-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)pyrrolidin-3-amine
CID 66545623
1-(3-Chlorophenyl)pyrrolidin-3-amine
CID 22926341
1-(2-Bromo-3-chlorophenyl)pyrrolidine
CID 103480260
2-bromo-3-chloro-N-methylaniline hydrochloride
CID 146049862
3-chloro-4-fluoro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline
CID 42579860
2-bromo-3-chloro-N-methylaniline
CID 11843302
(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 141155244
[1-(3-Chlorophenyl)pyrrolidin-2-yl]methanamine
CID 3072390
3-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 17389913
3-chloro-4-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 42579858
N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 79724677
N-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 79724866

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine (CID 81264104) is N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine is Clc1ccc(Br)c(NC2CCNC2)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine?
The InChIKey is WJWJKTROYMJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine?
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine has a molecular weight of 275.58 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 81264104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).