2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol

C16H25NO — CID 123256673

IUPAC2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNCC1CC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-6-4-5-7-14(12)15(18)11-17-10-13-8-16(2,3)9-13/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyGOMKEYLHEBWPLZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds5

About 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol

2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol (PubChem CID 123256673) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
PubChem CID123256673
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNCC1CC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-6-4-5-7-14(12)15(18)11-17-10-13-8-16(2,3)9-13/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyGOMKEYLHEBWPLZ-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Pseudoephedrine Hydrochloride
CID 9581
DL-Ephedrine
CID 5032
N-Methylphenylethanolamine
CID 913
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
d-Ephedrine
CID 9457
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
CID 71290
Fepradinol
CID 68819

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol (CID 123256673) is 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CNCC1CC(C)(C)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol?
The InChIKey is GOMKEYLHEBWPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-4-5-7-14(12)15(18)11-17-10-13-8-16(2,3)9-13/h4-7,13,15,17-18H,8-11H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol?
2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 123256673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).