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

C15H21NO2 — CID 115247483

IUPACmethyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)10-15(7-8-15)14(17)18-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyJBDOTDJTMAOFPO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds4

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

methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate (PubChem CID 115247483) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
PubChem CID115247483
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)10-15(7-8-15)14(17)18-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyJBDOTDJTMAOFPO-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(N,2-dimethylanilino)methyl]cyclobutane-1-carboxylate
CID 115247264
methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247688
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183981
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824
1-[(2,5-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181848
methyl 2-[(N,2,5-trimethylanilino)methyl]butanoate
CID 115253052
1-[(5-bromo-N,2-dimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246466
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate (CID 115247483) is methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)c2cc(C)ccc2C)CC1.
What is the InChIKey of methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
The InChIKey is JBDOTDJTMAOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)10-15(7-8-15)14(17)18-4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate?
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).