(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol
CID 107862441
(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
CID 22877802
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113364970
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 125145333
2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol
CID 106434869

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).