methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate

C14H21NO3 — CID 60781966

IUPACmethyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-7-5-12(6-8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyIYJXKHANOUMGOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds6

About methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate

methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate (PubChem CID 60781966) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
PubChem CID60781966
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-7-5-12(6-8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyIYJXKHANOUMGOD-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate 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

methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate (CID 60781966) is methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate is COC(=O)C(C)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate?
The InChIKey is IYJXKHANOUMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-13-7-5-12(6-8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate?
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate is sourced from PubChem (CID 60781966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).