[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol

C18H29NO2 — CID 86817556

IUPAC[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol
SMILESCCOC1CC(CO)(NCc2ccc(C)c(C)c2)C1(C)C
InChIInChI=1S/C18H29NO2/c1-6-21-16-10-18(12-20,17(16,4)5)19-11-15-8-7-13(2)14(3)9-15/h7-9,16,19-20H,6,10-12H2,1-5H3
InChIKeyXQTUZDYBOSXPBN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.96
Rot. Bonds6

About [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol

[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol (PubChem CID 86817556) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol
PubChem CID86817556
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol
SMILESCCOC1CC(CO)(NCc2ccc(C)c(C)c2)C1(C)C
InChIInChI=1S/C18H29NO2/c1-6-21-16-10-18(12-20,17(16,4)5)19-11-15-8-7-13(2)14(3)9-15/h7-9,16,19-20H,6,10-12H2,1-5H3
InChIKeyXQTUZDYBOSXPBN-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol with MolForge

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Related Compounds

2-[4-[(2,3-Dimethylphenyl)methylamino]oxan-4-yl]ethanol
CID 71917559
2-[4-[(2,6-Dimethylphenyl)methylamino]oxan-4-yl]ethanol
CID 84590994
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70740408
2-[(2,4-Dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 28724856
(3S)-3-[(2,6-dimethylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 97046343
[(3R)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
CID 99832474
5-[2-Tert-butyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117948290
[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
CID 99832473
[3-[[2-Methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
CID 121516518
4-[[[3-Ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]amino]methyl]-3-fluorobenzonitrile
CID 122149367
4-[[[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]amino]methyl]-3-fluorobenzonitrile
CID 124618730
4-[[[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]amino]methyl]-3-fluorobenzonitrile
CID 124618731

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The IUPAC name of [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol (CID 86817556) is [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol.
What is the SMILES notation for [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The canonical SMILES for [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol is CCOC1CC(CO)(NCc2ccc(C)c(C)c2)C1(C)C.
What is the InChIKey of [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
The InChIKey is XQTUZDYBOSXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-21-16-10-18(12-20,17(16,4)5)19-11-15-8-7-13(2)14(3)9-15/h7-9,16,19-20H,6,10-12H2,1-5H3.
What are the key properties of [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol?
[1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethylphenyl)methylamino]-3-ethoxy-2,2-dimethylcyclobutyl]methanol is sourced from PubChem (CID 86817556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).