3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol

C18H23NO2 — CID 124627955

IUPAC3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol
SMILESC[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-13(16-9-6-10-17(20)12-16)19-14(2)18(21)11-15-7-4-3-5-8-15/h3-10,12-14,18-21H,11H2,1-2H3/t13-,14+,18+/m0/s1
InChIKeyIMYHOPSJDGRZRY-PMUMKWKESA-N
MW285.39 g/mol
LogP3.03
Rot. Bonds6

About 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol

3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol (PubChem CID 124627955) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol
PubChem CID124627955
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol
SMILESC[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-13(16-9-6-10-17(20)12-16)19-14(2)18(21)11-15-7-4-3-5-8-15/h3-10,12-14,18-21H,11H2,1-2H3/t13-,14+,18+/m0/s1
InChIKeyIMYHOPSJDGRZRY-PMUMKWKESA-N
XLogP3.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol?
The IUPAC name of 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol (CID 124627955) is 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol is C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol?
The InChIKey is IMYHOPSJDGRZRY-PMUMKWKESA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(16-9-6-10-17(20)12-16)19-14(2)18(21)11-15-7-4-3-5-8-15/h3-10,12-14,18-21H,11H2,1-2H3/t13-,14+,18+/m0/s1.
What are the key properties of 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol?
3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 124627955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).