methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate

C15H21NO2 — CID 115461620

IUPACmethyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC(C)C1CC1
InChIInChI=1S/C15H21NO2/c1-11(12-7-8-12)16-10-14-6-4-3-5-13(14)9-15(17)18-2/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyVSRVXNRCGUYTOB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate

methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate (PubChem CID 115461620) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
PubChem CID115461620
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC(C)C1CC1
InChIInChI=1S/C15H21NO2/c1-11(12-7-8-12)16-10-14-6-4-3-5-13(14)9-15(17)18-2/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyVSRVXNRCGUYTOB-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
methyl 2-[[1-(oxan-4-yl)ethylamino]methyl]benzoate
CID 103923703
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate (CID 115461620) is methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNC(C)C1CC1.
What is the InChIKey of methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate?
The InChIKey is VSRVXNRCGUYTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(12-7-8-12)16-10-14-6-4-3-5-13(14)9-15(17)18-2/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate?
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate has a molecular weight of 247.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate is sourced from PubChem (CID 115461620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).