2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol

C19H25NO3 — CID 6472106

IUPAC2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
SMILESCCOc1cccc(CNCCO)c1OCc1ccc(C)cc1
InChIInChI=1S/C19H25NO3/c1-3-22-18-6-4-5-17(13-20-11-12-21)19(18)23-14-16-9-7-15(2)8-10-16/h4-10,20-21H,3,11-14H2,1-2H3
InChIKeyZEBMGKWTASHLDU-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.05
Rot. Bonds9

About 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol

2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 6472106) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
PubChem CID6472106
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
SMILESCCOc1cccc(CNCCO)c1OCc1ccc(C)cc1
InChIInChI=1S/C19H25NO3/c1-3-22-18-6-4-5-17(13-20-11-12-21)19(18)23-14-16-9-7-15(2)8-10-16/h4-10,20-21H,3,11-14H2,1-2H3
InChIKeyZEBMGKWTASHLDU-UHFFFAOYSA-N
XLogP3.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17054772
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17054761
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208783
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17216237

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol (CID 6472106) is 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol is CCOc1cccc(CNCCO)c1OCc1ccc(C)cc1.
What is the InChIKey of 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is ZEBMGKWTASHLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-22-18-6-4-5-17(13-20-11-12-21)19(18)23-14-16-9-7-15(2)8-10-16/h4-10,20-21H,3,11-14H2,1-2H3.
What are the key properties of 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol?
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 6472106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).