2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol

C15H26N2O3 — CID 82183866

IUPAC2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCc1cc(N)c(OC)cc1OC
InChIInChI=1S/C15H26N2O3/c1-4-17(8-9-18)7-5-6-12-10-13(16)15(20-3)11-14(12)19-2/h10-11,18H,4-9,16H2,1-3H3
InChIKeySCHCPRNUEZJZJD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds9

About 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol

2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol (PubChem CID 82183866) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol
PubChem CID82183866
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCc1cc(N)c(OC)cc1OC
InChIInChI=1S/C15H26N2O3/c1-4-17(8-9-18)7-5-6-12-10-13(16)15(20-3)11-14(12)19-2/h10-11,18H,4-9,16H2,1-3H3
InChIKeySCHCPRNUEZJZJD-UHFFFAOYSA-N
XLogP1.53
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol?
The IUPAC name of 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol (CID 82183866) is 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol.
What is the SMILES notation for 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol?
The canonical SMILES for 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol is CCN(CCO)CCCc1cc(N)c(OC)cc1OC.
What is the InChIKey of 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol?
The InChIKey is SCHCPRNUEZJZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17(8-9-18)7-5-6-12-10-13(16)15(20-3)11-14(12)19-2/h10-11,18H,4-9,16H2,1-3H3.
What are the key properties of 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol?
2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol has a molecular weight of 282.38 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol is sourced from PubChem (CID 82183866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).