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

C11H14BrN — CID 43629614

IUPAC2-(4-bromo-2-methylphenyl)pyrrolidine
SMILESCc1cc(Br)ccc1C1CCCN1
InChIInChI=1S/C11H14BrN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyBTLJWDAPMQIDAD-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.18
Rot. Bonds1

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

2-(4-bromo-2-methylphenyl)pyrrolidine (PubChem CID 43629614) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)pyrrolidine
PubChem CID43629614
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-(4-bromo-2-methylphenyl)pyrrolidine
SMILESCc1cc(Br)ccc1C1CCCN1
InChIInChI=1S/C11H14BrN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyBTLJWDAPMQIDAD-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Benzenemethanamine, 4-bromo-N-methyl-
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8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
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2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
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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
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p-Bromomethamphetamine
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CID 15885183

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)pyrrolidine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)pyrrolidine (CID 43629614) is 2-(4-bromo-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)pyrrolidine is Cc1cc(Br)ccc1C1CCCN1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)pyrrolidine?
The InChIKey is BTLJWDAPMQIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)pyrrolidine?
2-(4-bromo-2-methylphenyl)pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.18, 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 is sourced from PubChem (CID 43629614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).