3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol

C15H23NO3 — CID 66170006

IUPAC3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(C2CC(NCC(C)(O)CO)C2)cc1
InChIInChI=1S/C15H23NO3/c1-15(18,10-17)9-16-13-7-12(8-13)11-3-5-14(19-2)6-4-11/h3-6,12-13,16-18H,7-10H2,1-2H3
InChIKeyZHAFLHOWGVVQOP-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.27
Rot. Bonds6

About 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol

3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol (PubChem CID 66170006) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
PubChem CID66170006
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(C2CC(NCC(C)(O)CO)C2)cc1
InChIInChI=1S/C15H23NO3/c1-15(18,10-17)9-16-13-7-12(8-13)11-3-5-14(19-2)6-4-11/h3-6,12-13,16-18H,7-10H2,1-2H3
InChIKeyZHAFLHOWGVVQOP-UHFFFAOYSA-N
XLogP1.27
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol (CID 66170006) is 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol is COc1ccc(C2CC(NCC(C)(O)CO)C2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is ZHAFLHOWGVVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(18,10-17)9-16-13-7-12(8-13)11-3-5-14(19-2)6-4-11/h3-6,12-13,16-18H,7-10H2,1-2H3.
What are the key properties of 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol?
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66170006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).