ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate

C15H23NO3 — CID 61498264

IUPACethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)12(4)16-10-13-7-6-8-14(9-13)19-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3
InChIKeyVOKGDGSPWWXNFG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds7

About ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate

ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate (PubChem CID 61498264) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
PubChem CID61498264
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)12(4)16-10-13-7-6-8-14(9-13)19-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3
InChIKeyVOKGDGSPWWXNFG-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate (CID 61498264) is ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate is CCOC(=O)C(C)NCc1cccc(OC(C)C)c1.
What is the InChIKey of ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The InChIKey is VOKGDGSPWWXNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-15(17)12(4)16-10-13-7-6-8-14(9-13)19-11(2)3/h6-9,11-12,16H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate is sourced from PubChem (CID 61498264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).