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

C14H18N2O2 — CID 114265588

IUPAC[2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c15-9-10-5-1-3-7-12(10)17-14-11-6-2-4-8-13(11)18-16-14/h2,4,6,8,10,12H,1,3,5,7,9,15H2
InChIKeyFEQYYNCHEREVGQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.72
Rot. Bonds3

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

[2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine (PubChem CID 114265588) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine
PubChem CID114265588
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c15-9-10-5-1-3-7-12(10)17-14-11-6-2-4-8-13(11)18-16-14/h2,4,6,8,10,12H,1,3,5,7,9,15H2
InChIKeyFEQYYNCHEREVGQ-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine
CID 115355544
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
[2-(2-propoxyphenoxy)cycloheptyl]methanamine
CID 43294055
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
[2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]cyclohexyl]methanamine
CID 105363297
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
CID 22068269
4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
CID 114586518
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine?
The IUPAC name of [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine (CID 114265588) is [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine is NCC1CCCCC1Oc1noc2ccccc12.
What is the InChIKey of [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine?
The InChIKey is FEQYYNCHEREVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-9-10-5-1-3-7-12(10)17-14-11-6-2-4-8-13(11)18-16-14/h2,4,6,8,10,12H,1,3,5,7,9,15H2.
What are the key properties of [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine?
[2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-benzoxazol-3-yloxy)cyclohexyl]methanamine is sourced from PubChem (CID 114265588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).