ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate

C14H25NO3 — CID 143560170

IUPACethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
SMILESCC.CN.COC(=O)CC(OC)c1ccccc1
InChIInChI=1S/C11H14O3.C2H6.CH5N/c1-13-10(8-11(12)14-2)9-6-4-3-5-7-9;2*1-2/h3-7,10H,8H2,1-2H3;1-2H3;2H2,1H3
InChIKeyAZDMMKGYFBQFHO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.54
Rot. Bonds4

About ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate

ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate (PubChem CID 143560170) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
PubChem CID143560170
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
SMILESCC.CN.COC(=O)CC(OC)c1ccccc1
InChIInChI=1S/C11H14O3.C2H6.CH5N/c1-13-10(8-11(12)14-2)9-6-4-3-5-7-9;2*1-2/h3-7,10H,8H2,1-2H3;1-2H3;2H2,1H3
InChIKeyAZDMMKGYFBQFHO-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-3-phenylpropanoic acid
CID 13379217
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
aniline;3-methoxy-N-methyl-3-phenylpropanamide
CID 172564255
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
CID 174718709
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
dimethyl 2-(1-phenylethyl)butanedioate
CID 53348868
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate?
The IUPAC name of ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate (CID 143560170) is ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate.
What is the SMILES notation for ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate?
The canonical SMILES for ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate is CC.CN.COC(=O)CC(OC)c1ccccc1.
What is the InChIKey of ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate?
The InChIKey is AZDMMKGYFBQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C2H6.CH5N/c1-13-10(8-11(12)14-2)9-6-4-3-5-7-9;2*1-2/h3-7,10H,8H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate?
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate is sourced from PubChem (CID 143560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).