2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol

C19H25NO3 — CID 111467761

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(CO)NCc2cc(C)c(OC)c(C)c2)c1
InChIInChI=1S/C19H25NO3/c1-13-8-15(9-14(2)19(13)23-4)11-20-18(12-21)16-6-5-7-17(10-16)22-3/h5-10,18,20-21H,11-12H2,1-4H3
InChIKeyXBJQNXRPOALYNK-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.14
Rot. Bonds7

About 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol (PubChem CID 111467761) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
PubChem CID111467761
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(CO)NCc2cc(C)c(OC)c(C)c2)c1
InChIInChI=1S/C19H25NO3/c1-13-8-15(9-14(2)19(13)23-4)11-20-18(12-21)16-6-5-7-17(10-16)22-3/h5-10,18,20-21H,11-12H2,1-4H3
InChIKeyXBJQNXRPOALYNK-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 111467841
2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111467784
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
[4-[(4-methoxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl]methanol
CID 158830196
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 66611858
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol (CID 111467761) is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol is COc1cccc(C(CO)NCc2cc(C)c(OC)c(C)c2)c1.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol?
The InChIKey is XBJQNXRPOALYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-8-15(9-14(2)19(13)23-4)11-20-18(12-21)16-6-5-7-17(10-16)22-3/h5-10,18,20-21H,11-12H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol?
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).