2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol

C18H30N2O — CID 105416501

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)CN(C)CC2(N(C)C)CCC2)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-15(2)16(11-14)17(21)12-20(5)13-18(19(3)4)9-6-10-18/h7-8,11,17,21H,6,9-10,12-13H2,1-5H3
InChIKeyHICAJMSIYYSCTM-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.75
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol (PubChem CID 105416501) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
PubChem CID105416501
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)CN(C)CC2(N(C)C)CCC2)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-15(2)16(11-14)17(21)12-20(5)13-18(19(3)4)9-6-10-18/h7-8,11,17,21H,6,9-10,12-13H2,1-5H3
InChIKeyHICAJMSIYYSCTM-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Etafedrine
CID 94532
2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284
Benzenemethanol, 4-cyclopentyl-alpha-((diethylamino)methyl)-, hydrochloride
CID 3070069
2-Ethylmethylamino-1-phenylpropan-1-ol
CID 10734
2-(Diethylamino)-1-phenylethanol
CID 223392
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376
(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 45262414
N-Diethylnorephedrine
CID 11356230
(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 11003877
1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-ol
CID 11499753
Benzenemethanol, alpha-[(1S)-1-(ethylmethylamino)ethyl]-, (alphaR)-
CID 12235161
5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride
CID 39343

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol (CID 105416501) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(C(O)CN(C)CC2(N(C)C)CCC2)c1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is HICAJMSIYYSCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-7-8-15(2)16(11-14)17(21)12-20(5)13-18(19(3)4)9-6-10-18/h7-8,11,17,21H,6,9-10,12-13H2,1-5H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 105416501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).