2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol

C15H23NO3 — CID 83922113

IUPAC2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-2-12(7-11(9-16)10-17)13-3-4-14-15(8-13)19-6-5-18-14/h3-4,8,11-12,17H,2,5-7,9-10,16H2,1H3
InChIKeySYIYZJVXRPLRCJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.91
Rot. Bonds6

About 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol

2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol (PubChem CID 83922113) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
PubChem CID83922113
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-2-12(7-11(9-16)10-17)13-3-4-14-15(8-13)19-6-5-18-14/h3-4,8,11-12,17H,2,5-7,9-10,16H2,1H3
InChIKeySYIYZJVXRPLRCJ-UHFFFAOYSA-N
XLogP1.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 83922100
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butan-1-ol
CID 116930737
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol (CID 83922113) is 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol is CCC(CC(CN)CO)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol?
The InChIKey is SYIYZJVXRPLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-12(7-11(9-16)10-17)13-3-4-14-15(8-13)19-6-5-18-14/h3-4,8,11-12,17H,2,5-7,9-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol?
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol is sourced from PubChem (CID 83922113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).