1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid

C17H25NO2 — CID 117440769

IUPAC1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)c1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)15-10-8-14(9-11-15)17(16(19)20)12-6-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyCUIRKDGPDZXTBV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.82
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid

1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117440769) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117440769
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)c1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)15-10-8-14(9-11-15)17(16(19)20)12-6-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyCUIRKDGPDZXTBV-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-[3-(diethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117371185
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 117113991
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 82114218
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid (CID 117440769) is 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid is CCN(CC)c1ccc(C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is CUIRKDGPDZXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(4-2)15-10-8-14(9-11-15)17(16(19)20)12-6-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid?
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117440769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).