4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol

C15H25NO4 — CID 66091719

IUPAC4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO4/c1-5-12(16)11(6-7-17)10-8-13(18-2)15(20-4)14(9-10)19-3/h8-9,11-12,17H,5-7,16H2,1-4H3
InChIKeyNIAFQKMZRWKFDV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.92
Rot. Bonds8

About 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol

4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol (PubChem CID 66091719) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
PubChem CID66091719
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO4/c1-5-12(16)11(6-7-17)10-8-13(18-2)15(20-4)14(9-10)19-3/h8-9,11-12,17H,5-7,16H2,1-4H3
InChIKeyNIAFQKMZRWKFDV-UHFFFAOYSA-N
XLogP1.92
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 170874761
4-amino-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66090556
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 28701279
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol?
The IUPAC name of 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol (CID 66091719) is 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol?
The canonical SMILES for 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol is CCC(N)C(CCO)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol?
The InChIKey is NIAFQKMZRWKFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-12(16)11(6-7-17)10-8-13(18-2)15(20-4)14(9-10)19-3/h8-9,11-12,17H,5-7,16H2,1-4H3.
What are the key properties of 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol?
4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol is sourced from PubChem (CID 66091719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).