1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid

C18H19NO2 — CID 39226104

IUPAC1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(-c2ccc(C3(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C18H19NO2/c1-19(2)16-5-3-4-14(12-16)13-6-8-15(9-7-13)18(10-11-18)17(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyVTZQDMOFKPXWGT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 39226104) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID39226104
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(-c2ccc(C3(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C18H19NO2/c1-19(2)16-5-3-4-14(12-16)13-6-8-15(9-7-13)18(10-11-18)17(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyVTZQDMOFKPXWGT-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 39226104) is 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid is CN(C)c1cccc(-c2ccc(C3(C(=O)O)CC3)cc2)c1.
What is the InChIKey of 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is VTZQDMOFKPXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(2)16-5-3-4-14(12-16)13-6-8-15(9-7-13)18(10-11-18)17(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 39226104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).