ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

C22H27NO2 — CID 13218449

IUPACethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CN(C)CCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3
InChIKeyDDXXSYJRADXEJP-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.68
Rot. Bonds8

About ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate (PubChem CID 13218449) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
PubChem CID13218449
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Nameethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CN(C)CCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3
InChIKeyDDXXSYJRADXEJP-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218496
cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate;hydrochloride
CID 13218479
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 70344670
3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine
CID 114830661
2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
CID 13208107
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate (CID 13218449) is ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate is CCOC(=O)C1(c2ccccc2)CC1CN(C)CCc1ccccc1.
What is the InChIKey of ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The InChIKey is DDXXSYJRADXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3.
What are the key properties of ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 13218449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).