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

C14H21NO2 — CID 83922100

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
SMILESCCC(CCCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-2-11(4-3-7-15)12-5-6-13-14(10-12)17-9-8-16-13/h5-6,10-11H,2-4,7-9,15H2,1H3
InChIKeyCITILPYOFSBLNU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds5

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine (PubChem CID 83922100) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
PubChem CID83922100
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
SMILESCCC(CCCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-2-11(4-3-7-15)12-5-6-13-14(10-12)17-9-8-16-13/h5-6,10-11H,2-4,7-9,15H2,1H3
InChIKeyCITILPYOFSBLNU-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine 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

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
6-(1-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 61098299

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine (CID 83922100) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine is CCC(CCCN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The InChIKey is CITILPYOFSBLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-11(4-3-7-15)12-5-6-13-14(10-12)17-9-8-16-13/h5-6,10-11H,2-4,7-9,15H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine is sourced from PubChem (CID 83922100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).