2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

C15H21NO2 — CID 115221551

IUPAC2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CNCC2CC2C(=O)O)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-9-4-5-12(11(3)10(9)2)7-16-8-13-6-14(13)15(17)18/h4-5,13-14,16H,6-8H2,1-3H3,(H,17,18)
InChIKeyLOSSBCIPLIBPTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds5

About 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221551) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221551
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CNCC2CC2C(=O)O)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-9-4-5-12(11(3)10(9)2)7-16-8-13-6-14(13)15(17)18/h4-5,13-14,16H,6-8H2,1-3H3,(H,17,18)
InChIKeyLOSSBCIPLIBPTG-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646
2-[[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221617
2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221563
2-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221630
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221686
2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221637
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115221551) is 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is Cc1ccc(CNCC2CC2C(=O)O)c(C)c1C.
What is the InChIKey of 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LOSSBCIPLIBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-4-5-12(11(3)10(9)2)7-16-8-13-6-14(13)15(17)18/h4-5,13-14,16H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).