1-(2-aminophenyl)cyclohexane-1-carboxylic acid

C13H17NO2 — CID 106702481

IUPAC1-(2-aminophenyl)cyclohexane-1-carboxylic acid
SMILESNc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17NO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,14H2,(H,15,16)
InChIKeyXGXNNEQTXXVUEK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-aminophenyl)cyclohexane-1-carboxylic acid

1-(2-aminophenyl)cyclohexane-1-carboxylic acid (PubChem CID 106702481) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-aminophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminophenyl)cyclohexane-1-carboxylic acid
PubChem CID106702481
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-aminophenyl)cyclohexane-1-carboxylic acid
SMILESNc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17NO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,14H2,(H,15,16)
InChIKeyXGXNNEQTXXVUEK-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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Related Compounds

1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
1-[2-amino-5-(trifluoromethyl)phenyl]cycloheptane-1-carboxylic acid
CID 106702526
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-aminophenyl)cyclohexane-1-carboxylic acid (CID 106702481) is 1-(2-aminophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-aminophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-aminophenyl)cyclohexane-1-carboxylic acid is Nc1ccccc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-aminophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is XGXNNEQTXXVUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,14H2,(H,15,16).
What are the key properties of 1-(2-aminophenyl)cyclohexane-1-carboxylic acid?
1-(2-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-(2-aminophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106702481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).