1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate

C15H23NO3 — CID 82533366

IUPAC1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
SMILESCOc1ccc(CNCC(C)OC(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-5-7-14(18-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyPRWDCSFGXSPBSK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate

1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate (PubChem CID 82533366) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
PubChem CID82533366
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
SMILESCOc1ccc(CNCC(C)OC(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-5-7-14(18-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyPRWDCSFGXSPBSK-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

2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
tert-butyl (2R)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133637
tert-butyl (2S)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133636
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The IUPAC name of 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate (CID 82533366) is 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The canonical SMILES for 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate is COc1ccc(CNCC(C)OC(=O)C(C)C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
The InChIKey is PRWDCSFGXSPBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)15(17)19-12(3)9-16-10-13-5-7-14(18-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate?
1-[(4-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-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 82533366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).