1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate

C14H21NO4 — CID 82532880

IUPAC1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
SMILESCOc1ccc(OC)c(CNCC(C)OC(C)=O)c1
InChIInChI=1S/C14H21NO4/c1-10(19-11(2)16)8-15-9-12-7-13(17-3)5-6-14(12)18-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyYJUSXPRDBIVQGD-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.75
Rot. Bonds7

About 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate

1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate (PubChem CID 82532880) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
PubChem CID82532880
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
SMILESCOc1ccc(OC)c(CNCC(C)OC(C)=O)c1
InChIInChI=1S/C14H21NO4/c1-10(19-11(2)16)8-15-9-12-7-13(17-3)5-6-14(12)18-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyYJUSXPRDBIVQGD-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-[[(2,5-dimethoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254449
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
tert-butyl N-[(2S)-1-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 95770355
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate (CID 82532880) is 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate is COc1ccc(OC)c(CNCC(C)OC(C)=O)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate?
The InChIKey is YJUSXPRDBIVQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(19-11(2)16)8-15-9-12-7-13(17-3)5-6-14(12)18-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate?
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate has a molecular weight of 267.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate is sourced from PubChem (CID 82532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).