2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid

C17H25NO2 — CID 65242856

IUPAC2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
SMILESCc1ccccc1CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H25NO2/c1-14-8-4-5-9-15(14)13-18(2)17(12-16(19)20)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyTUYAYOBBXZELPZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.60
Rot. Bonds5

About 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid (PubChem CID 65242856) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
PubChem CID65242856
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
SMILESCc1ccccc1CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H25NO2/c1-14-8-4-5-9-15(14)13-18(2)17(12-16(19)20)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyTUYAYOBBXZELPZ-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242660
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-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
CID 55055377
2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65237888
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
CID 65242953

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid (CID 65242856) is 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid is Cc1ccccc1CN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid?
The InChIKey is TUYAYOBBXZELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-8-4-5-9-15(14)13-18(2)17(12-16(19)20)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).