2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol

C15H24N2O — CID 55159139

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-13(10-17)16(2)3/h4-7,13,15,18H,8-11H2,1-3H3
InChIKeyTYFDILHWIMGYTD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.66
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol (PubChem CID 55159139) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
PubChem CID55159139
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-13(10-17)16(2)3/h4-7,13,15,18H,8-11H2,1-3H3
InChIKeyTYFDILHWIMGYTD-UHFFFAOYSA-N
XLogP1.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 62966550
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
CID 111461994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol (CID 55159139) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CN1CCC(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol?
The InChIKey is TYFDILHWIMGYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-13(10-17)16(2)3/h4-7,13,15,18H,8-11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.66, 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-methylphenyl)ethanol is sourced from PubChem (CID 55159139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).