2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol

C20H27NO3 — CID 110897097

IUPAC2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1cc(CNCc2c(C)cc(C)cc2C)ccc1OCCO
InChIInChI=1S/C20H27NO3/c1-14-9-15(2)18(16(3)10-14)13-21-12-17-5-6-19(24-8-7-22)20(11-17)23-4/h5-6,9-11,21-22H,7-8,12-13H2,1-4H3
InChIKeyLGDXORXGYUJONF-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.28
Rot. Bonds8

About 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol

2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 110897097) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID110897097
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1cc(CNCc2c(C)cc(C)cc2C)ccc1OCCO
InChIInChI=1S/C20H27NO3/c1-14-9-15(2)18(16(3)10-14)13-21-12-17-5-6-19(24-8-7-22)20(11-17)23-4/h5-6,9-11,21-22H,7-8,12-13H2,1-4H3
InChIKeyLGDXORXGYUJONF-UHFFFAOYSA-N
XLogP3.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
3-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 122030518
2-[2-methoxy-4-[[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenoxy]ethanol
CID 111466382
5-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]methyl]thiophene-3-carbonitrile
CID 111696086
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 29228432
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
CID 47009124

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol (CID 110897097) is 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol is COc1cc(CNCc2c(C)cc(C)cc2C)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is LGDXORXGYUJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14-9-15(2)18(16(3)10-14)13-21-12-17-5-6-19(24-8-7-22)20(11-17)23-4/h5-6,9-11,21-22H,7-8,12-13H2,1-4H3.
What are the key properties of 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 329.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 110897097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).