4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid

C14H19NO3 — CID 117053471

IUPAC4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
SMILESNCC1CCCCC1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c15-9-11-3-1-2-4-13(11)18-12-7-5-10(6-8-12)14(16)17/h5-8,11,13H,1-4,9,15H2,(H,16,17)
InChIKeyCAMDYZGPGZYXBU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.28
Rot. Bonds4

About 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid

4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid (PubChem CID 117053471) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
PubChem CID117053471
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
SMILESNCC1CCCCC1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c15-9-11-3-1-2-4-13(11)18-12-7-5-10(6-8-12)14(16)17/h5-8,11,13H,1-4,9,15H2,(H,16,17)
InChIKeyCAMDYZGPGZYXBU-UHFFFAOYSA-N
XLogP2.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053616
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
4-[3-(2-ethylcyclohexyl)propoxy]benzoic acid
CID 57244924
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
4-(oxan-2-yloxy)benzoic acid
CID 11183645
[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
CID 43294080
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
CID 115002126
[2-[4-(2-methoxyethyl)phenoxy]cyclopentyl]methanamine
CID 43294230

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid?
The IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid (CID 117053471) is 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid.
What is the SMILES notation for 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid?
The canonical SMILES for 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid is NCC1CCCCC1Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid?
The InChIKey is CAMDYZGPGZYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-9-11-3-1-2-4-13(11)18-12-7-5-10(6-8-12)14(16)17/h5-8,11,13H,1-4,9,15H2,(H,16,17).
What are the key properties of 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid?
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid is sourced from PubChem (CID 117053471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).