[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol

C15H24N2O — CID 117012396

IUPAC[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(C)c1N1CCC(CO)(N(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12-6-5-7-13(2)14(12)17-9-8-15(10-17,11-18)16(3)4/h5-7,18H,8-11H2,1-4H3
InChIKeyAIOHGIQGCGAWKS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.81
Rot. Bonds3

About [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol

[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117012396) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117012396
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(C)c1N1CCC(CO)(N(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12-6-5-7-13(2)14(12)17-9-8-15(10-17,11-18)16(3)4/h5-7,18H,8-11H2,1-4H3
InChIKeyAIOHGIQGCGAWKS-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
CID 117012529
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024942
[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842
1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol
CID 82296595
[3-(dimethylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012362

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol (CID 117012396) is [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol is Cc1cccc(C)c1N1CCC(CO)(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is AIOHGIQGCGAWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-5-7-13(2)14(12)17-9-8-15(10-17,11-18)16(3)4/h5-7,18H,8-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol?
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).