2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid

C18H27NO2 — CID 105403455

IUPAC2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCCCC1c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-19(4-2)18(14-17(20)21)13-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeyUZJSRMFPSNGDAK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds6

About 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid

2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid (PubChem CID 105403455) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid
PubChem CID105403455
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCCCC1c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-19(4-2)18(14-17(20)21)13-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeyUZJSRMFPSNGDAK-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid (CID 105403455) is 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid is CCN(CC)C1(CC(=O)O)CCCCC1c1ccccc1.
What is the InChIKey of 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid?
The InChIKey is UZJSRMFPSNGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19(4-2)18(14-17(20)21)13-9-8-12-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid?
2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid has a molecular weight of 289.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid is sourced from PubChem (CID 105403455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).