1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride

C19H26ClNO4 — CID 2981025

IUPAC1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20-12-15-10-17(23-3)18(24-4)11-16(15)22-2;/h5-11,13,19-21H,12H2,1-4H3;1H
InChIKeyHZQUAHIXVLVYIH-UHFFFAOYSA-N
MW367.87 g/mol
LogP3.35
Rot. Bonds8

About 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride

1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride (PubChem CID 2981025) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride
PubChem CID2981025
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20-12-15-10-17(23-3)18(24-4)11-16(15)22-2;/h5-11,13,19-21H,12H2,1-4H3;1H
InChIKeyHZQUAHIXVLVYIH-UHFFFAOYSA-N
XLogP3.35
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride?
The IUPAC name of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride (CID 2981025) is 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride is COc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride?
The InChIKey is HZQUAHIXVLVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20-12-15-10-17(23-3)18(24-4)11-16(15)22-2;/h5-11,13,19-21H,12H2,1-4H3;1H.
What are the key properties of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride?
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 2981025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).