4-(2-cyclohexyloxyethylamino)benzoic acid

C15H21NO3 — CID 63827610

IUPAC4-(2-cyclohexyloxyethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCCOC2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c17-15(18)12-6-8-13(9-7-12)16-10-11-19-14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2,(H,17,18)
InChIKeyFNNPRHFFOVGXER-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.15
Rot. Bonds6

About 4-(2-cyclohexyloxyethylamino)benzoic acid

4-(2-cyclohexyloxyethylamino)benzoic acid (PubChem CID 63827610) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-cyclohexyloxyethylamino)benzoic acid.

Molecular Properties

Compound Name4-(2-cyclohexyloxyethylamino)benzoic acid
PubChem CID63827610
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(2-cyclohexyloxyethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCCOC2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c17-15(18)12-6-8-13(9-7-12)16-10-11-19-14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2,(H,17,18)
InChIKeyFNNPRHFFOVGXER-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
3-bromo-5-(2-cyclohexyloxyethylamino)benzoic acid
CID 102823009
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
CID 63834095
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
4-(2-cyclopentyloxyethylamino)-2,3-difluorobenzoic acid
CID 79840391
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyloxyethylamino)benzoic acid?
The IUPAC name of 4-(2-cyclohexyloxyethylamino)benzoic acid (CID 63827610) is 4-(2-cyclohexyloxyethylamino)benzoic acid.
What is the SMILES notation for 4-(2-cyclohexyloxyethylamino)benzoic acid?
The canonical SMILES for 4-(2-cyclohexyloxyethylamino)benzoic acid is O=C(O)c1ccc(NCCOC2CCCCC2)cc1.
What is the InChIKey of 4-(2-cyclohexyloxyethylamino)benzoic acid?
The InChIKey is FNNPRHFFOVGXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)12-6-8-13(9-7-12)16-10-11-19-14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2,(H,17,18).
What are the key properties of 4-(2-cyclohexyloxyethylamino)benzoic acid?
4-(2-cyclohexyloxyethylamino)benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyloxyethylamino)benzoic acid is sourced from PubChem (CID 63827610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).