2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol

C15H25NO4 — CID 65185942

IUPAC2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(O)C(CN)C(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-9(2)11(8-16)13(17)10-6-7-12(18-3)15(20-5)14(10)19-4/h6-7,9,11,13,17H,8,16H2,1-5H3
InChIKeyFXBSXYWARZTGGL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.98
Rot. Bonds7

About 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol

2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol (PubChem CID 65185942) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
PubChem CID65185942
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(O)C(CN)C(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-9(2)11(8-16)13(17)10-6-7-12(18-3)15(20-5)14(10)19-4/h6-7,9,11,13,17H,8,16H2,1-5H3
InChIKeyFXBSXYWARZTGGL-UHFFFAOYSA-N
XLogP1.98
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
2-[hydroxy-(2,3,4-trimethoxyphenyl)methyl]butanoic acid
CID 62397627
(1R,3R)-3-amino-4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol;hydrochloride
CID 171237731
[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
CID 79138330

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol (CID 65185942) is 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol is COc1ccc(C(O)C(CN)C(C)C)c(OC)c1OC.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol?
The InChIKey is FXBSXYWARZTGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9(2)11(8-16)13(17)10-6-7-12(18-3)15(20-5)14(10)19-4/h6-7,9,11,13,17H,8,16H2,1-5H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol?
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol is sourced from PubChem (CID 65185942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).