2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

C20H28N2O3 — CID 4724426

IUPAC2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1cccc(CNCCNCCO)c1OCc1ccccc1
InChIInChI=1S/C20H28N2O3/c1-2-24-19-10-6-9-18(15-22-12-11-21-13-14-23)20(19)25-16-17-7-4-3-5-8-17/h3-10,21-23H,2,11-16H2,1H3
InChIKeyGGLWXWQODYHYFL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.34
Rot. Bonds12

About 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (PubChem CID 4724426) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
PubChem CID4724426
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1cccc(CNCCNCCO)c1OCc1ccccc1
InChIInChI=1S/C20H28N2O3/c1-2-24-19-10-6-9-18(15-22-12-11-21-13-14-23)20(19)25-16-17-7-4-3-5-8-17/h3-10,21-23H,2,11-16H2,1H3
InChIKeyGGLWXWQODYHYFL-UHFFFAOYSA-N
XLogP2.34
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
2-[2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17054772
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4724403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (CID 4724426) is 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is CCOc1cccc(CNCCNCCO)c1OCc1ccccc1.
What is the InChIKey of 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The InChIKey is GGLWXWQODYHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-24-19-10-6-9-18(15-22-12-11-21-13-14-23)20(19)25-16-17-7-4-3-5-8-17/h3-10,21-23H,2,11-16H2,1H3.
What are the key properties of 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.34, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is sourced from PubChem (CID 4724426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).