2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid

C16H22ClNO2 — CID 65242660

IUPAC2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1ccccc1Cl)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(12-13-7-3-4-8-14(13)17)16(11-15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20)
InChIKeyMOGRMJILMYZFER-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid

2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid (PubChem CID 65242660) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
PubChem CID65242660
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1ccccc1Cl)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(12-13-7-3-4-8-14(13)17)16(11-15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20)
InChIKeyMOGRMJILMYZFER-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
2-[1-[(2-chloro-5-fluorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 102616854
2-[1-[(3-hydroxyphenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65243007
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
CID 65242953
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
CID 103272478
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid (CID 65242660) is 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid is CN(Cc1ccccc1Cl)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is MOGRMJILMYZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(12-13-7-3-4-8-14(13)17)16(11-15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid?
2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 295.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).