2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol

C18H30N2O — CID 105416473

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N(C)CC2(N(C)C)CCC2)cc1
InChIInChI=1S/C18H30N2O/c1-14-7-9-16(10-8-14)17(21)15(2)20(5)13-18(19(3)4)11-6-12-18/h7-10,15,17,21H,6,11-13H2,1-5H3
InChIKeyUPUGRYRYMCNBSW-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.83
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol (PubChem CID 105416473) 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-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol
PubChem CID105416473
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N(C)CC2(N(C)C)CCC2)cc1
InChIInChI=1S/C18H30N2O/c1-14-7-9-16(10-8-14)17(21)15(2)20(5)13-18(19(3)4)11-6-12-18/h7-10,15,17,21H,6,11-13H2,1-5H3
InChIKeyUPUGRYRYMCNBSW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
CID 63701171
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
CID 79075014
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol (CID 105416473) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)N(C)CC2(N(C)C)CCC2)cc1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is UPUGRYRYMCNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-7-9-16(10-8-14)17(21)15(2)20(5)13-18(19(3)4)11-6-12-18/h7-10,15,17,21H,6,11-13H2,1-5H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.83, 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-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105416473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).