3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid

C16H23NO3 — CID 65066346

IUPAC3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(C)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-11(12-6-8-15(20-2)9-7-12)17-14-5-3-4-13(10-14)16(18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyGOMOQFFRVKIIMU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.99
Rot. Bonds5

About 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid

3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 65066346) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID65066346
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(C)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-11(12-6-8-15(20-2)9-7-12)17-14-5-3-4-13(10-14)16(18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyGOMOQFFRVKIIMU-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 65066346) is 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid is COc1ccc(C(C)NC2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GOMOQFFRVKIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(12-6-8-15(20-2)9-7-12)17-14-5-3-4-13(10-14)16(18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).