3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol

C14H23NO5 — CID 103377357

IUPAC3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol
SMILESCOc1cc(OC)c(C(CN)OCCCO)cc1OC
InChIInChI=1S/C14H23NO5/c1-17-11-8-13(19-3)12(18-2)7-10(11)14(9-15)20-6-4-5-16/h7-8,14,16H,4-6,9,15H2,1-3H3
InChIKeyLWVLVWFTBZSFGM-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.11
Rot. Bonds9

About 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol

3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol (PubChem CID 103377357) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol
PubChem CID103377357
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol
SMILESCOc1cc(OC)c(C(CN)OCCCO)cc1OC
InChIInChI=1S/C14H23NO5/c1-17-11-8-13(19-3)12(18-2)7-10(11)14(9-15)20-6-4-5-16/h7-8,14,16H,4-6,9,15H2,1-3H3
InChIKeyLWVLVWFTBZSFGM-UHFFFAOYSA-N
XLogP1.11
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
CID 103376821
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol
CID 103377295
2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
CID 103376772
3-[2-amino-1-(4-bromo-5-methylthiophen-2-yl)ethoxy]propan-1-ol
CID 103377420
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol
CID 66092622
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol (CID 103377357) is 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol is COc1cc(OC)c(C(CN)OCCCO)cc1OC.
What is the InChIKey of 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol?
The InChIKey is LWVLVWFTBZSFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-17-11-8-13(19-3)12(18-2)7-10(11)14(9-15)20-6-4-5-16/h7-8,14,16H,4-6,9,15H2,1-3H3.
What are the key properties of 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol?
3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol has a molecular weight of 285.34 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol is sourced from PubChem (CID 103377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).