2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

C19H25NO3 — CID 111382243

IUPAC2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H25NO3/c1-13-8-9-19(23-4)17(10-13)14(2)20-12-18(21)15-6-5-7-16(11-15)22-3/h5-11,14,18,20-21H,12H2,1-4H3
InChIKeyAYYRYBPPKQKRAU-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.40
Rot. Bonds7

About 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111382243) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111382243
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H25NO3/c1-13-8-9-19(23-4)17(10-13)14(2)20-12-18(21)15-6-5-7-16(11-15)22-3/h5-11,14,18,20-21H,12H2,1-4H3
InChIKeyAYYRYBPPKQKRAU-UHFFFAOYSA-N
XLogP3.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81133562
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 97349384
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (CID 111382243) is 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)c2cc(C)ccc2OC)c1.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is AYYRYBPPKQKRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-8-9-19(23-4)17(10-13)14(2)20-12-18(21)15-6-5-7-16(11-15)22-3/h5-11,14,18,20-21H,12H2,1-4H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111382243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).