2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol

C15H25NO4 — CID 83934134

IUPAC2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
SMILESCOc1ccc(C(C)CC(O)C(C)N)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-9(8-12(17)10(2)16)11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,9-10,12,17H,8,16H2,1-5H3
InChIKeyVWCYXOVOZHLFPY-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.91
Rot. Bonds7

About 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol

2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol (PubChem CID 83934134) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
PubChem CID83934134
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
SMILESCOc1ccc(C(C)CC(O)C(C)N)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-9(8-12(17)10(2)16)11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,9-10,12,17H,8,16H2,1-5H3
InChIKeyVWCYXOVOZHLFPY-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
4-(2,3,4-trimethoxyphenyl)pentanenitrile
CID 83934096
2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 63630961
(1R,3R)-3-amino-4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol;hydrochloride
CID 171237731
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene
CID 83934116

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol (CID 83934134) is 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol is COc1ccc(C(C)CC(O)C(C)N)c(OC)c1OC.
What is the InChIKey of 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol?
The InChIKey is VWCYXOVOZHLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9(8-12(17)10(2)16)11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,9-10,12,17H,8,16H2,1-5H3.
What are the key properties of 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol?
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol has a molecular weight of 283.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol is sourced from PubChem (CID 83934134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).