1-(4-aminophenyl)cyclohexane-1-carboxylic acid

C13H17NO2 — CID 23336052

IUPAC1-(4-aminophenyl)cyclohexane-1-carboxylic acid
SMILESNc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C13H17NO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9,14H2,(H,15,16)
InChIKeyYGRBKPGPUVNQSI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-aminophenyl)cyclohexane-1-carboxylic acid

1-(4-aminophenyl)cyclohexane-1-carboxylic acid (PubChem CID 23336052) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminophenyl)cyclohexane-1-carboxylic acid
PubChem CID23336052
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-aminophenyl)cyclohexane-1-carboxylic acid
SMILESNc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C13H17NO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9,14H2,(H,15,16)
InChIKeyYGRBKPGPUVNQSI-UHFFFAOYSA-N
XLogP2.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-aminophenyl)cyclohexane-1-carboxylic acid (CID 23336052) is 1-(4-aminophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-aminophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-aminophenyl)cyclohexane-1-carboxylic acid is Nc1ccc(C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is YGRBKPGPUVNQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9,14H2,(H,15,16).
What are the key properties of 1-(4-aminophenyl)cyclohexane-1-carboxylic acid?
1-(4-aminophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23336052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).