3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol

C18H23NO4 — CID 97349384

IUPAC3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc([C@@H](O)CN[C@@H](C)c2cc(O)ccc2OC)cc1
InChIInChI=1S/C18H23NO4/c1-12(16-10-14(20)6-9-18(16)23-3)19-11-17(21)13-4-7-15(22-2)8-5-13/h4-10,12,17,19-21H,11H2,1-3H3/t12-,17-/m0/s1
InChIKeyQBYQBODZMRPFGN-SJCJKPOMSA-N
MW317.39 g/mol
LogP2.79
Rot. Bonds7

About 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol

3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol (PubChem CID 97349384) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
PubChem CID97349384
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc([C@@H](O)CN[C@@H](C)c2cc(O)ccc2OC)cc1
InChIInChI=1S/C18H23NO4/c1-12(16-10-14(20)6-9-18(16)23-3)19-11-17(21)13-4-7-15(22-2)8-5-13/h4-10,12,17,19-21H,11H2,1-3H3/t12-,17-/m0/s1
InChIKeyQBYQBODZMRPFGN-SJCJKPOMSA-N
XLogP2.79
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol with MolForge

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The IUPAC name of 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol (CID 97349384) is 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol is COc1ccc([C@@H](O)CN[C@@H](C)c2cc(O)ccc2OC)cc1.
What is the InChIKey of 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The InChIKey is QBYQBODZMRPFGN-SJCJKPOMSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12(16-10-14(20)6-9-18(16)23-3)19-11-17(21)13-4-7-15(22-2)8-5-13/h4-10,12,17,19-21H,11H2,1-3H3/t12-,17-/m0/s1.
What are the key properties of 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol?
3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol has a molecular weight of 317.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 97349384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).