1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

C15H21NO2 — CID 115242913

IUPAC1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(CNCC2(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)13(12(3)7-10)8-16-9-15(4-5-15)14(17)18/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyMQOPGPZUMKXKCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds5

About 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242913) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115242913
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(CNCC2(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)13(12(3)7-10)8-16-9-15(4-5-15)14(17)18/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyMQOPGPZUMKXKCC-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242888
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
1-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242966
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65395327
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115242913) is 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is Cc1cc(C)c(CNCC2(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MQOPGPZUMKXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-11(2)13(12(3)7-10)8-16-9-15(4-5-15)14(17)18/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).