1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

C16H25NO — CID 79056113

IUPAC1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCc1cccc(C(O)C(C)(C)N2CCCC2)c1C
InChIInChI=1S/C16H25NO/c1-12-8-7-9-14(13(12)2)15(18)16(3,4)17-10-5-6-11-17/h7-9,15,18H,5-6,10-11H2,1-4H3
InChIKeyFLHWMHHFHMSDRB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 79056113) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID79056113
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCc1cccc(C(O)C(C)(C)N2CCCC2)c1C
InChIInChI=1S/C16H25NO/c1-12-8-7-9-14(13(12)2)15(18)16(3,4)17-10-5-6-11-17/h7-9,15,18H,5-6,10-11H2,1-4H3
InChIKeyFLHWMHHFHMSDRB-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
CID 103449136
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 79052267
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 79053151
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79595083
2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol
CID 104738047
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114686563

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (CID 79056113) is 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is Cc1cccc(C(O)C(C)(C)N2CCCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is FLHWMHHFHMSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-7-9-14(13(12)2)15(18)16(3,4)17-10-5-6-11-17/h7-9,15,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 79056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).