cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

C15H21NO2 — CID 105079651

IUPACcyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1cccc2c1OCCO2)C1CCCCC1
InChIInChI=1S/C15H21NO2/c16-14(11-5-2-1-3-6-11)12-7-4-8-13-15(12)18-10-9-17-13/h4,7-8,11,14H,1-3,5-6,9-10,16H2
InChIKeyIWZPKNKOLFNVGO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds2

About cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (PubChem CID 105079651) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
PubChem CID105079651
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1cccc2c1OCCO2)C1CCCCC1
InChIInChI=1S/C15H21NO2/c16-14(11-5-2-1-3-6-11)12-7-4-8-13-15(12)18-10-9-17-13/h4,7-8,11,14H,1-3,5-6,9-10,16H2
InChIKeyIWZPKNKOLFNVGO-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The IUPAC name of cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (CID 105079651) is cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.
What is the SMILES notation for cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The canonical SMILES for cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is NC(c1cccc2c1OCCO2)C1CCCCC1.
What is the InChIKey of cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The InChIKey is IWZPKNKOLFNVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-14(11-5-2-1-3-6-11)12-7-4-8-13-15(12)18-10-9-17-13/h4,7-8,11,14H,1-3,5-6,9-10,16H2.
What are the key properties of cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is sourced from PubChem (CID 105079651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).