3-amino-2-(2-methoxyphenoxy)hexan-1-ol

C13H21NO3 — CID 114357945

IUPAC3-amino-2-(2-methoxyphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1ccccc1OC
InChIInChI=1S/C13H21NO3/c1-3-6-10(14)13(9-15)17-12-8-5-4-7-11(12)16-2/h4-5,7-8,10,13,15H,3,6,9,14H2,1-2H3
InChIKeyKUFVTEKNBFMNKP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.56
Rot. Bonds7

About 3-amino-2-(2-methoxyphenoxy)hexan-1-ol

3-amino-2-(2-methoxyphenoxy)hexan-1-ol (PubChem CID 114357945) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyphenoxy)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methoxyphenoxy)hexan-1-ol
PubChem CID114357945
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-amino-2-(2-methoxyphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1ccccc1OC
InChIInChI=1S/C13H21NO3/c1-3-6-10(14)13(9-15)17-12-8-5-4-7-11(12)16-2/h4-5,7-8,10,13,15H,3,6,9,14H2,1-2H3
InChIKeyKUFVTEKNBFMNKP-UHFFFAOYSA-N
XLogP1.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
CID 142544309
3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
CID 114357844
(1R,2S)-1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
CID 124630432
3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
CID 114358313
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
CID 116718510
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
ethyl 2-bromo-2-(2-methoxyphenoxy)acetate
CID 22282008
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
3-amino-2-(2-propan-2-ylphenoxy)butan-1-ol
CID 64898304
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
(2-methoxyphenyl)methyl 2-methylpentanoate
CID 78842249
2-(2-methoxyphenoxy)propanediamide
CID 141374982

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyphenoxy)hexan-1-ol?
The IUPAC name of 3-amino-2-(2-methoxyphenoxy)hexan-1-ol (CID 114357945) is 3-amino-2-(2-methoxyphenoxy)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methoxyphenoxy)hexan-1-ol?
The canonical SMILES for 3-amino-2-(2-methoxyphenoxy)hexan-1-ol is CCCC(N)C(CO)Oc1ccccc1OC.
What is the InChIKey of 3-amino-2-(2-methoxyphenoxy)hexan-1-ol?
The InChIKey is KUFVTEKNBFMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-6-10(14)13(9-15)17-12-8-5-4-7-11(12)16-2/h4-5,7-8,10,13,15H,3,6,9,14H2,1-2H3.
What are the key properties of 3-amino-2-(2-methoxyphenoxy)hexan-1-ol?
3-amino-2-(2-methoxyphenoxy)hexan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyphenoxy)hexan-1-ol is sourced from PubChem (CID 114357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).