1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate

C12H15F2NO2 — CID 82532955

IUPAC1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
SMILESCC(=O)OC(C)CNCc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-8(17-9(2)16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyDQLUIPQKUCDIPA-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.01
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate

1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate (PubChem CID 82532955) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
PubChem CID82532955
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
SMILESCC(=O)OC(C)CNCc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-8(17-9(2)16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyDQLUIPQKUCDIPA-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726567
2-[(2,4-difluorophenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82532966

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate?
The IUPAC name of 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate (CID 82532955) is 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate is CC(=O)OC(C)CNCc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate?
The InChIKey is DQLUIPQKUCDIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(17-9(2)16)6-15-7-10-3-4-11(13)5-12(10)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate?
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate has a molecular weight of 243.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate is sourced from PubChem (CID 82532955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).