(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol

C16H25NO3 — CID 107862441

IUPAC(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol
SMILESCCOC1CC(N[C@H](CO)Cc2ccccc2)C1OC
InChIInChI=1S/C16H25NO3/c1-3-20-15-10-14(16(15)19-2)17-13(11-18)9-12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3/t13-,14?,15?,16?/m0/s1
InChIKeyRQLWSELZEYBYFY-CUUNVARJSA-N
MW279.38 g/mol
LogP1.37
Rot. Bonds8

About (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol

(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol (PubChem CID 107862441) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol
PubChem CID107862441
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol
SMILESCCOC1CC(N[C@H](CO)Cc2ccccc2)C1OC
InChIInChI=1S/C16H25NO3/c1-3-20-15-10-14(16(15)19-2)17-13(11-18)9-12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3/t13-,14?,15?,16?/m0/s1
InChIKeyRQLWSELZEYBYFY-CUUNVARJSA-N
XLogP1.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 104926144
2-(3-ethoxycyclobutyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107861181
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
2-(2-adamantylamino)-3-phenylpropan-1-ol
CID 63260809
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol (CID 107862441) is (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol is CCOC1CC(N[C@H](CO)Cc2ccccc2)C1OC.
What is the InChIKey of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol?
The InChIKey is RQLWSELZEYBYFY-CUUNVARJSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-20-15-10-14(16(15)19-2)17-13(11-18)9-12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3/t13-,14?,15?,16?/m0/s1.
What are the key properties of (2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol?
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.37, 8 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]-3-phenylpropan-1-ol is sourced from PubChem (CID 107862441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).