1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol

C17H28N2O — CID 105416136

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol
SMILESCN(CC(C)(O)c1ccccc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H28N2O/c1-16(20,15-9-6-5-7-10-15)13-19(4)14-17(18(2)3)11-8-12-17/h5-7,9-10,20H,8,11-14H2,1-4H3
InChIKeyYACLTTYMKYDBGT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.31
Rot. Bonds6

About 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol (PubChem CID 105416136) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol
PubChem CID105416136
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol
SMILESCN(CC(C)(O)c1ccccc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H28N2O/c1-16(20,15-9-6-5-7-10-15)13-19(4)14-17(18(2)3)11-8-12-17/h5-7,9-10,20H,8,11-14H2,1-4H3
InChIKeyYACLTTYMKYDBGT-UHFFFAOYSA-N
XLogP2.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105417432
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropane-1-thiol
CID 105418786
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 105417150
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416257
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol (CID 105416136) is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol is CN(CC(C)(O)c1ccccc1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol?
The InChIKey is YACLTTYMKYDBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(20,15-9-6-5-7-10-15)13-19(4)14-17(18(2)3)11-8-12-17/h5-7,9-10,20H,8,11-14H2,1-4H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol?
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 105416136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).