3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 65066344

IUPAC3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC1CCCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-10(13-7-2-3-8-14(13)16)17-12-6-4-5-11(9-12)15(18)19/h2-3,7-8,10-12,17H,4-6,9H2,1H3,(H,18,19)
InChIKeyKPKMKACSLSJJIX-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.12
Rot. Bonds4

About 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid

3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 65066344) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID65066344
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC1CCCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-10(13-7-2-3-8-14(13)16)17-12-6-4-5-11(9-12)15(18)19/h2-3,7-8,10-12,17H,4-6,9H2,1H3,(H,18,19)
InChIKeyKPKMKACSLSJJIX-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 65066344) is 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid is CC(NC1CCCC(C(=O)O)C1)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is KPKMKACSLSJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(13-7-2-3-8-14(13)16)17-12-6-4-5-11(9-12)15(18)19/h2-3,7-8,10-12,17H,4-6,9H2,1H3,(H,18,19).
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid?
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).