[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine

C14H19NO3 — CID 43294080

IUPAC[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c15-8-10-3-1-2-4-12(10)18-11-5-6-13-14(7-11)17-9-16-13/h5-7,10,12H,1-4,8-9,15H2
InChIKeyOZQPFCKRDHAAHF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds3

About [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine

[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine (PubChem CID 43294080) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
PubChem CID43294080
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c15-8-10-3-1-2-4-12(10)18-11-5-6-13-14(7-11)17-9-16-13/h5-7,10,12H,1-4,8-9,15H2
InChIKeyOZQPFCKRDHAAHF-UHFFFAOYSA-N
XLogP2.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
CID 43211648
[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentyl]methanamine
CID 82239829
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
CID 115002126
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
CID 84755733

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine (CID 43294080) is [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine is NCC1CCCCC1Oc1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine?
The InChIKey is OZQPFCKRDHAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-8-10-3-1-2-4-12(10)18-11-5-6-13-14(7-11)17-9-16-13/h5-7,10,12H,1-4,8-9,15H2.
What are the key properties of [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine?
[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine is sourced from PubChem (CID 43294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).