1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol

C21H30N2O3 — CID 4724419

IUPAC1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCCOc1cccc(CNCCNCC(C)O)c1OCc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-3-25-20-11-7-10-19(15-23-13-12-22-14-17(2)24)21(20)26-16-18-8-5-4-6-9-18/h4-11,17,22-24H,3,12-16H2,1-2H3
InChIKeyZDIPQSLRUZHFKT-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.72
Rot. Bonds12

About 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol

1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol (PubChem CID 4724419) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
PubChem CID4724419
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCCOc1cccc(CNCCNCC(C)O)c1OCc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-3-25-20-11-7-10-19(15-23-13-12-22-14-17(2)24)21(20)26-16-18-8-5-4-6-9-18/h4-11,17,22-24H,3,12-16H2,1-2H3
InChIKeyZDIPQSLRUZHFKT-UHFFFAOYSA-N
XLogP2.72
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.72
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
1-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17216203
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-[2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17054772
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4724403

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol (CID 4724419) is 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol is CCOc1cccc(CNCCNCC(C)O)c1OCc1ccccc1.
What is the InChIKey of 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The InChIKey is ZDIPQSLRUZHFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-25-20-11-7-10-19(15-23-13-12-22-14-17(2)24)21(20)26-16-18-8-5-4-6-9-18/h4-11,17,22-24H,3,12-16H2,1-2H3.
What are the key properties of 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol?
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol has a molecular weight of 358.48 g/mol, XLogP of 2.72, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 4724419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).