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

C21H30N2O3 — CID 17214307

IUPAC2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
SMILESCCOc1cccc(CNCCCNCCO)c1OCc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-2-25-20-11-6-10-19(16-23-13-7-12-22-14-15-24)21(20)26-17-18-8-4-3-5-9-18/h3-6,8-11,22-24H,2,7,12-17H2,1H3
InChIKeyMJBWVZZSINZVBX-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.73
Rot. Bonds13

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

2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol (PubChem CID 17214307) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
PubChem CID17214307
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
SMILESCCOc1cccc(CNCCCNCCO)c1OCc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-2-25-20-11-6-10-19(16-23-13-7-12-22-14-15-24)21(20)26-17-18-8-4-3-5-9-18/h3-6,8-11,22-24H,2,7,12-17H2,1H3
InChIKeyMJBWVZZSINZVBX-UHFFFAOYSA-N
XLogP2.73
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.73
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-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106
2-[2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17054772
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
2-[3-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214142
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 17206174

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol (CID 17214307) is 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol is CCOc1cccc(CNCCCNCCO)c1OCc1ccccc1.
What is the InChIKey of 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The InChIKey is MJBWVZZSINZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-25-20-11-6-10-19(16-23-13-7-12-22-14-15-24)21(20)26-17-18-8-4-3-5-9-18/h3-6,8-11,22-24H,2,7,12-17H2,1H3.
What are the key properties of 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol has a molecular weight of 358.48 g/mol, XLogP of 2.73, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol is sourced from PubChem (CID 17214307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).