3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride

C12H17Cl2N — CID 126812340

IUPAC3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)NCCC1c1ccccc1Cl.Cl
InChIInChI=1S/C12H16ClN.ClH/c1-12(2)10(7-8-14-12)9-5-3-4-6-11(9)13;/h3-6,10,14H,7-8H2,1-2H3;1H
InChIKeyBQGBZNBUUBUOGC-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.62
Rot. Bonds1

About 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride

3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride (PubChem CID 126812340) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride
PubChem CID126812340
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)NCCC1c1ccccc1Cl.Cl
InChIInChI=1S/C12H16ClN.ClH/c1-12(2)10(7-8-14-12)9-5-3-4-6-11(9)13;/h3-6,10,14H,7-8H2,1-2H3;1H
InChIKeyBQGBZNBUUBUOGC-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129150
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride (CID 126812340) is 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride is CC1(C)NCCC1c1ccccc1Cl.Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The InChIKey is BQGBZNBUUBUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.ClH/c1-12(2)10(7-8-14-12)9-5-3-4-6-11(9)13;/h3-6,10,14H,7-8H2,1-2H3;1H.
What are the key properties of 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride?
3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride has a molecular weight of 246.18 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2,2-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 126812340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).