3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol

C15H25NO3 — CID 82097746

IUPAC3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
SMILESCCOc1ccc(CCNCCCO)cc1OCC
InChIInChI=1S/C15H25NO3/c1-3-18-14-7-6-13(12-15(14)19-4-2)8-10-16-9-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeyKXQNRKRLIRKXJF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.00
Rot. Bonds10

About 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol

3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol (PubChem CID 82097746) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
PubChem CID82097746
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
SMILESCCOc1ccc(CCNCCCO)cc1OCC
InChIInChI=1S/C15H25NO3/c1-3-18-14-7-6-13(12-15(14)19-4-2)8-10-16-9-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeyKXQNRKRLIRKXJF-UHFFFAOYSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.00
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

N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
1,2-diethoxy-4-propylbenzene
CID 3995471

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol (CID 82097746) is 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol is CCOc1ccc(CCNCCCO)cc1OCC.
What is the InChIKey of 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol?
The InChIKey is KXQNRKRLIRKXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-18-14-7-6-13(12-15(14)19-4-2)8-10-16-9-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol?
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 82097746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).