methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate

C16H23NO2 — CID 115247688

IUPACmethyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)8-11-17(2)12-16(9-10-16)15(18)19-3/h4-7H,8-12H2,1-3H3
InChIKeyHDUYMHFKASTKKK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.42
Rot. Bonds6

About methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate

methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247688) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
PubChem CID115247688
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)8-11-17(2)12-16(9-10-16)15(18)19-3/h4-7H,8-12H2,1-3H3
InChIKeyHDUYMHFKASTKKK-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115243117
3-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248543
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247483
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640
methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247625
methyl 2-[methyl-[2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 115142592
1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
methyl 1-[2-(4-methylphenyl)acetyl]cyclopropane-1-carboxylate
CID 147637134
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247618

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate (CID 115247688) is methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)CCc2ccc(C)cc2)CC1.
What is the InChIKey of methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is HDUYMHFKASTKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)8-11-17(2)12-16(9-10-16)15(18)19-3/h4-7H,8-12H2,1-3H3.
What are the key properties of methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).