2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid

C15H21NO3 — CID 82037587

IUPAC2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid
SMILESCN(C)C1CCCCC1Oc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-16(2)12-8-4-6-10-14(12)19-13-9-5-3-7-11(13)15(17)18/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBRPQHZUUWJKJPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid

2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid (PubChem CID 82037587) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid
PubChem CID82037587
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid
SMILESCN(C)C1CCCCC1Oc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-16(2)12-8-4-6-10-14(12)19-13-9-5-3-7-11(13)15(17)18/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBRPQHZUUWJKJPP-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid?
The IUPAC name of 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid (CID 82037587) is 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid?
The canonical SMILES for 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid is CN(C)C1CCCCC1Oc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid?
The InChIKey is BRPQHZUUWJKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)12-8-4-6-10-14(12)19-13-9-5-3-7-11(13)15(17)18/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid?
2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid is sourced from PubChem (CID 82037587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).