1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol

C12H15Cl2NO — CID 117016879

IUPAC1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2)10(16)6-7-15(12)9-5-3-4-8(13)11(9)14/h3-5,10,16H,6-7H2,1-2H3
InChIKeyRNRDYCUDWTWOAS-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.34
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol

1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol (PubChem CID 117016879) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
PubChem CID117016879
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2)10(16)6-7-15(12)9-5-3-4-8(13)11(9)14/h3-5,10,16H,6-7H2,1-2H3
InChIKeyRNRDYCUDWTWOAS-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
CID 117017057
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017251
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019807
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019064
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66367122
1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019307
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol (CID 117016879) is 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is RNRDYCUDWTWOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2)10(16)6-7-15(12)9-5-3-4-8(13)11(9)14/h3-5,10,16H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 260.16 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).