(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol

C15H23NO3 — CID 107862265

IUPAC(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
SMILESCCOC1CC(N[C@H](CO)c2ccccc2)C1OC
InChIInChI=1S/C15H23NO3/c1-3-19-14-9-12(15(14)18-2)16-13(10-17)11-7-5-4-6-8-11/h4-8,12-17H,3,9-10H2,1-2H3/t12?,13-,14?,15?/m1/s1
InChIKeyTVMYQDPSLYBDNS-MXTXEEQBSA-N
MW265.35 g/mol
LogP1.50
Rot. Bonds7

About (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol

(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol (PubChem CID 107862265) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
PubChem CID107862265
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
SMILESCCOC1CC(N[C@H](CO)c2ccccc2)C1OC
InChIInChI=1S/C15H23NO3/c1-3-19-14-9-12(15(14)18-2)16-13(10-17)11-7-5-4-6-8-11/h4-8,12-17H,3,9-10H2,1-2H3/t12?,13-,14?,15?/m1/s1
InChIKeyTVMYQDPSLYBDNS-MXTXEEQBSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol (CID 107862265) is (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol is CCOC1CC(N[C@H](CO)c2ccccc2)C1OC.
What is the InChIKey of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol?
The InChIKey is TVMYQDPSLYBDNS-MXTXEEQBSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-14-9-12(15(14)18-2)16-13(10-17)11-7-5-4-6-8-11/h4-8,12-17H,3,9-10H2,1-2H3/t12?,13-,14?,15?/m1/s1.
What are the key properties of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol?
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol has a molecular weight of 265.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol is sourced from PubChem (CID 107862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).