2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol

C15H24N2O — CID 82979180

IUPAC2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N2CCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-15(18)14(9-11)12(2)17-8-7-13(10-17)16(3)4/h5-6,9,12-13,18H,7-8,10H2,1-4H3
InChIKeyVKGBFMPNIDMVLZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds3

About 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol

2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol (PubChem CID 82979180) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
PubChem CID82979180
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N2CCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-15(18)14(9-11)12(2)17-8-7-13(10-17)16(3)4/h5-6,9,12-13,18H,7-8,10H2,1-4H3
InChIKeyVKGBFMPNIDMVLZ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82980165
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-methylphenol
CID 66211761
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982569
4-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]phenol
CID 82979374
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol (CID 82979180) is 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)N2CCC(N(C)C)C2)c1.
What is the InChIKey of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol?
The InChIKey is VKGBFMPNIDMVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-15(18)14(9-11)12(2)17-8-7-13(10-17)16(3)4/h5-6,9,12-13,18H,7-8,10H2,1-4H3.
What are the key properties of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol?
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol is sourced from PubChem (CID 82979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).