3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 104881581

IUPAC3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](NC1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(11-5-7-13(16)8-6-11)17-14-4-2-3-12(9-14)15(18)19/h5-8,10,12,14,17H,2-4,9H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1
InChIKeyYYTNVEDAUOOLPB-PWQPVHBWSA-N
MW265.33 g/mol
LogP3.12
Rot. Bonds4

About 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid

3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 104881581) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID104881581
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](NC1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(11-5-7-13(16)8-6-11)17-14-4-2-3-12(9-14)15(18)19/h5-8,10,12,14,17H,2-4,9H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1
InChIKeyYYTNVEDAUOOLPB-PWQPVHBWSA-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

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Related Compounds

3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
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-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid (CID 104881581) is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid is C[C@@H](NC1CCCC(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YYTNVEDAUOOLPB-PWQPVHBWSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(11-5-7-13(16)8-6-11)17-14-4-2-3-12(9-14)15(18)19/h5-8,10,12,14,17H,2-4,9H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]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-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104881581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).