3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol

C13H21NO4 — CID 112629921

IUPAC3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
SMILESCOCC(N)CC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO4/c1-16-8-9(14)6-12(15)11-7-10(17-2)4-5-13(11)18-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyKAFPHNIFOUPZFA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.10
Rot. Bonds7

About 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol

3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol (PubChem CID 112629921) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
PubChem CID112629921
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
SMILESCOCC(N)CC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO4/c1-16-8-9(14)6-12(15)11-7-10(17-2)4-5-13(11)18-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyKAFPHNIFOUPZFA-UHFFFAOYSA-N
XLogP1.10
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol (CID 112629921) is 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol is COCC(N)CC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol?
The InChIKey is KAFPHNIFOUPZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-8-9(14)6-12(15)11-7-10(17-2)4-5-13(11)18-3/h4-5,7,9,12,15H,6,8,14H2,1-3H3.
What are the key properties of 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol?
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 112629921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).