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

C17H25NO3 — CID 122030841

IUPAC4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C(C)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H25NO3/c1-3-21-16-6-4-5-14(11-16)12(2)18-15-9-7-13(8-10-15)17(19)20/h4-6,11-13,15,18H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyFNNZTZQGLJACKN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.38
Rot. Bonds6

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

4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030841) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID122030841
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C(C)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H25NO3/c1-3-21-16-6-4-5-14(11-16)12(2)18-15-9-7-13(8-10-15)17(19)20/h4-6,11-13,15,18H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyFNNZTZQGLJACKN-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
CID 75298781
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 122030841) is 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid is CCOc1cccc(C(C)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FNNZTZQGLJACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-16-6-4-5-14(11-16)12(2)18-15-9-7-13(8-10-15)17(19)20/h4-6,11-13,15,18H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid?
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).