4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol

C14H23NO4 — CID 66092622

IUPAC4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol
SMILESCOc1cc(OC)c(C(CCO)C(C)N)cc1OC
InChIInChI=1S/C14H23NO4/c1-9(15)10(5-6-16)11-7-13(18-3)14(19-4)8-12(11)17-2/h7-10,16H,5-6,15H2,1-4H3
InChIKeyVCFQLJQBEAPWEA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.53
Rot. Bonds7

About 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol

4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol (PubChem CID 66092622) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol
PubChem CID66092622
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol
SMILESCOc1cc(OC)c(C(CCO)C(C)N)cc1OC
InChIInChI=1S/C14H23NO4/c1-9(15)10(5-6-16)11-7-13(18-3)14(19-4)8-12(11)17-2/h7-10,16H,5-6,15H2,1-4H3
InChIKeyVCFQLJQBEAPWEA-UHFFFAOYSA-N
XLogP1.53
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-amino-1-(2-bromo-4,5-dimethoxyphenyl)butane-1,4-diol
CID 83943810
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol?
The IUPAC name of 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol (CID 66092622) is 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol?
The canonical SMILES for 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol is COc1cc(OC)c(C(CCO)C(C)N)cc1OC.
What is the InChIKey of 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol?
The InChIKey is VCFQLJQBEAPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(15)10(5-6-16)11-7-13(18-3)14(19-4)8-12(11)17-2/h7-10,16H,5-6,15H2,1-4H3.
What are the key properties of 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol?
4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,4,5-trimethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 66092622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).