1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid

C15H20ClNO2 — CID 117452732

IUPAC1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1cccc(Cl)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(2)12-8-6-7-11(16)13(12)15(14(18)19)9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyWUVQFYLDKZRKFC-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid

1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117452732) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117452732
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1cccc(Cl)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(2)12-8-6-7-11(16)13(12)15(14(18)19)9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyWUVQFYLDKZRKFC-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
CID 117467914
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
1-[3-chloro-2-(1,1-difluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117487556
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid (CID 117452732) is 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid is CN(C)c1cccc(Cl)c1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is WUVQFYLDKZRKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(2)12-8-6-7-11(16)13(12)15(14(18)19)9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid?
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.78 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117452732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).