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

C13H20ClNO — CID 170914264

IUPAC3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCOc1cccc(C2CCNC2(C)C)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(2)12(7-8-14-13)10-5-4-6-11(9-10)15-3;/h4-6,9,12,14H,7-8H2,1-3H3;1H
InChIKeyBKJPFOGLVLZJSK-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.97
Rot. Bonds2

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

3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride (PubChem CID 170914264) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
PubChem CID170914264
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCOc1cccc(C2CCNC2(C)C)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(2)12(7-8-14-13)10-5-4-6-11(9-10)15-3;/h4-6,9,12,14H,7-8H2,1-3H3;1H
InChIKeyBKJPFOGLVLZJSK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
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CID 12570813
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CID 84725231
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4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
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CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
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2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride (CID 170914264) is 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride is COc1cccc(C2CCNC2(C)C)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride?
The InChIKey is BKJPFOGLVLZJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-13(2)12(7-8-14-13)10-5-4-6-11(9-10)15-3;/h4-6,9,12,14H,7-8H2,1-3H3;1H.
What are the key properties of 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride?
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 170914264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).