ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate

C13H20N2O2 — CID 63380673

IUPACethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)10-15(2)9-12-6-4-5-11(7-12)8-14/h4-7H,3,8-10,14H2,1-2H3
InChIKeyKQLDWMVWRXSTRR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.14
Rot. Bonds6

About ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate

ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate (PubChem CID 63380673) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
PubChem CID63380673
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)10-15(2)9-12-6-4-5-11(7-12)8-14/h4-7H,3,8-10,14H2,1-2H3
InChIKeyKQLDWMVWRXSTRR-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
ethyl 3-[[4-(aminomethyl)phenyl]methyl-methylamino]propanoate
CID 63380492
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
CID 115257431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate (CID 63380673) is ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1cccc(CN)c1.
What is the InChIKey of ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate?
The InChIKey is KQLDWMVWRXSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13(16)10-15(2)9-12-6-4-5-11(7-12)8-14/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate?
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate is sourced from PubChem (CID 63380673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).