methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate

C15H21NO3 — CID 115247424

IUPACmethyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
SMILESCCOc1ccc(NCC2(C(=O)OC)CC2)cc1C
InChIInChI=1S/C15H21NO3/c1-4-19-13-6-5-12(9-11(13)2)16-10-15(7-8-15)14(17)18-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyYLFXIOKSMIMBLF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds6

About methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate

methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate (PubChem CID 115247424) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
PubChem CID115247424
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
SMILESCCOc1ccc(NCC2(C(=O)OC)CC2)cc1C
InChIInChI=1S/C15H21NO3/c1-4-19-13-6-5-12(9-11(13)2)16-10-15(7-8-15)14(17)18-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyYLFXIOKSMIMBLF-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842967
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247433
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
methyl 1-[[(4-methoxy-3-methylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247551
4-(4-ethoxy-3-methylanilino)-3-methylbutanoic acid
CID 115219712
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate (CID 115247424) is methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate is CCOc1ccc(NCC2(C(=O)OC)CC2)cc1C.
What is the InChIKey of methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate?
The InChIKey is YLFXIOKSMIMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-13-6-5-12(9-11(13)2)16-10-15(7-8-15)14(17)18-3/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate?
methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).