methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate

C15H21NO2 — CID 115247433

IUPACmethyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C15H21NO2/c1-10-7-12(3)13(8-11(10)2)16-9-15(5-6-15)14(17)18-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyPIUCECWPIFHIHV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.98
Rot. Bonds4

About methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate

methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate (PubChem CID 115247433) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
PubChem CID115247433
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C15H21NO2/c1-10-7-12(3)13(8-11(10)2)16-9-15(5-6-15)14(17)18-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyPIUCECWPIFHIHV-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carboxylate
CID 115247460
methyl 1-[(5-bromo-2-methylanilino)methyl]cyclobutane-1-carboxylate
CID 115247224
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282
methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
CID 115247424
methyl 1-[(3,4-difluoroanilino)methyl]cyclopropane-1-carboxylate
CID 115247419
methyl 1-[[(4-methoxy-3-methylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247551
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
methyl 1-[(4-methylsulfanylanilino)methyl]cyclopropane-1-carboxylate
CID 115247440
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate (CID 115247433) is methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNc2cc(C)c(C)cc2C)CC1.
What is the InChIKey of methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The InChIKey is PIUCECWPIFHIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-12(3)13(8-11(10)2)16-9-15(5-6-15)14(17)18-4/h7-8,16H,5-6,9H2,1-4H3.
What are the key properties of methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).