1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate

C15H23NO3 — CID 82533086

IUPAC1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
SMILESCOc1ccccc1CNCC(C)OC(=O)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-7-5-6-8-14(13)18-4/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyUGOTYRUGBOJLSZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate

1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate (PubChem CID 82533086) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
PubChem CID82533086
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
SMILESCOc1ccccc1CNCC(C)OC(=O)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-7-5-6-8-14(13)18-4/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyUGOTYRUGBOJLSZ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533366
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The IUPAC name of 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate (CID 82533086) is 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The canonical SMILES for 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate is COc1ccccc1CNCC(C)OC(=O)C(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The InChIKey is UGOTYRUGBOJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-7-5-6-8-14(13)18-4/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 82533086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).