2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid

C17H25NO2 — CID 63068055

IUPAC2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid
SMILESCCN(CC)C1CC(c2ccccc2)CCC1C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)16-12-14(10-11-15(16)17(19)20)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3,(H,19,20)
InChIKeyKUUKXKLJSSITAL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds5

About 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid

2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 63068055) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid
PubChem CID63068055
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid
SMILESCCN(CC)C1CC(c2ccccc2)CCC1C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)16-12-14(10-11-15(16)17(19)20)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3,(H,19,20)
InChIKeyKUUKXKLJSSITAL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63066865
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
2-butan-2-ylsulfanyl-4-phenylcyclohexane-1-carboxylic acid
CID 63097716
2-[benzyl(ethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 63068416
(1S,2S,4S)-2-benzoyl-4-phenylcyclohexane-1-carboxylic acid
CID 101034358
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
CID 79481944
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264
2-(oxetan-3-ylsulfanyl)-4-phenylcyclohexane-1-carboxylic acid
CID 79325903
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293647

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid (CID 63068055) is 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid is CCN(CC)C1CC(c2ccccc2)CCC1C(=O)O.
What is the InChIKey of 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is KUUKXKLJSSITAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(4-2)16-12-14(10-11-15(16)17(19)20)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid?
2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).