2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol

C16H26N2O — CID 63165368

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(N(C)C)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(13(2)9-12)16(19)11-18-8-7-14(10-18)17(3)4/h5-6,9,14,16,19H,7-8,10-11H2,1-4H3
InChIKeyLFSKLEBPGAHQAV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol (PubChem CID 63165368) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
PubChem CID63165368
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(N(C)C)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(13(2)9-12)16(19)11-18-8-7-14(10-18)17(3)4/h5-6,9,14,16,19H,7-8,10-11H2,1-4H3
InChIKeyLFSKLEBPGAHQAV-UHFFFAOYSA-N
XLogP1.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol (CID 63165368) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)CN2CCC(N(C)C)C2)c(C)c1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is LFSKLEBPGAHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-6-15(13(2)9-12)16(19)11-18-8-7-14(10-18)17(3)4/h5-6,9,14,16,19H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 262.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63165368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).