3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol

C18H23NO4 — CID 95336432

IUPAC3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
SMILESCOc1cc([C@H](C)NCc2cccc(O)c2)ccc1OCCO
InChIInChI=1S/C18H23NO4/c1-13(19-12-14-4-3-5-16(21)10-14)15-6-7-17(23-9-8-20)18(11-15)22-2/h3-7,10-11,13,19-21H,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDKEQWBPQLZTRCM-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.62
Rot. Bonds8

About 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol

3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol (PubChem CID 95336432) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
PubChem CID95336432
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
SMILESCOc1cc([C@H](C)NCc2cccc(O)c2)ccc1OCCO
InChIInChI=1S/C18H23NO4/c1-13(19-12-14-4-3-5-16(21)10-14)15-6-7-17(23-9-8-20)18(11-15)22-2/h3-7,10-11,13,19-21H,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDKEQWBPQLZTRCM-ZDUSSCGKSA-N
XLogP2.62
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
CID 110928652
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
2-[2-methoxy-4-[(1S)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 95331813
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 119110227
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol?
The IUPAC name of 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol (CID 95336432) is 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol is COc1cc([C@H](C)NCc2cccc(O)c2)ccc1OCCO.
What is the InChIKey of 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol?
The InChIKey is DKEQWBPQLZTRCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13(19-12-14-4-3-5-16(21)10-14)15-6-7-17(23-9-8-20)18(11-15)22-2/h3-7,10-11,13,19-21H,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol?
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol is sourced from PubChem (CID 95336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).