1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid

C14H19NO2 — CID 82620047

IUPAC1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
SMILESCN(C)c1ccccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO2/c1-15(2)12-8-4-3-7-11(12)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyRCIHRXDBTGQESJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid

1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 82620047) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
PubChem CID82620047
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
SMILESCN(C)c1ccccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO2/c1-15(2)12-8-4-3-7-11(12)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyRCIHRXDBTGQESJ-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
CID 117114182
1-[2-(dimethylamino)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117114309
1-[3-(dimethylamino)-4,5-difluorophenyl]cyclopentane-1-carboxylic acid
CID 117114177
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
2-(1-ethenylcyclopentyl)-N,N-dimethylaniline
CID 146531668
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid (CID 82620047) is 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid is CN(C)c1ccccc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is RCIHRXDBTGQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)12-8-4-3-7-11(12)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid?
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82620047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).