methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate

C15H21NO3 — CID 115247629

IUPACmethyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C15H21NO3/c1-16(11-15(8-9-15)14(17)19-3)10-12-6-4-5-7-13(12)18-2/h4-7H,8-11H2,1-3H3
InChIKeyAJYKKMRHETZJIV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds6

About methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247629) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID115247629
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C15H21NO3/c1-16(11-15(8-9-15)14(17)19-3)10-12-6-4-5-7-13(12)18-2/h4-7H,8-11H2,1-3H3
InChIKeyAJYKKMRHETZJIV-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
3-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-3-carboxylic acid
CID 63747090
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
CID 62259078
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate (CID 115247629) is methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)Cc2ccccc2OC)CC1.
What is the InChIKey of methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is AJYKKMRHETZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-15(8-9-15)14(17)19-3)10-12-6-4-5-7-13(12)18-2/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).