2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride

C11H15BrClN — CID 126796380

IUPAC2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cc(Br)ccc1C1CCCN1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11;/h4-5,7,11,13H,2-3,6H2,1H3;1H
InChIKeySCVCGENXYKMNFA-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.60
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride

2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 126796380) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride
PubChem CID126796380
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cc(Br)ccc1C1CCCN1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11;/h4-5,7,11,13H,2-3,6H2,1H3;1H
InChIKeySCVCGENXYKMNFA-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
8-Bromo-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10331841
3-Bromo-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine
CID 13194161
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
2-(4-Bromophenyl)pyrrolidine
CID 4281494
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride (CID 126796380) is 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride is Cc1cc(Br)ccc1C1CCCN1.Cl.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is SCVCGENXYKMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11;/h4-5,7,11,13H,2-3,6H2,1H3;1H.
What are the key properties of 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride?
2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 126796380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).