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

C19H25NO4 — CID 667229

IUPAC1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1
InChIInChI=1S/C19H25NO4/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
InChIKeyBGXAAVCLMBIUIZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.92
Rot. Bonds8

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

1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol (PubChem CID 667229) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
PubChem CID667229
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1
InChIInChI=1S/C19H25NO4/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
InChIKeyBGXAAVCLMBIUIZ-UHFFFAOYSA-N
XLogP2.92
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
(2R)-N-carbamoyl-2-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 8774840
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2979607
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
CID 111478472

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol (CID 667229) is 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol is COc1cc(OC)c(OC)cc1CNC(C)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is BGXAAVCLMBIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/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.
What are the key properties of 1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol?
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 331.41 g/mol, XLogP of 2.92, 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 is sourced from PubChem (CID 667229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).