2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one

C11H14FNO2 — CID 82284127

IUPAC2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C11H14FNO2/c1-3-15-10-5-4-8(6-9(10)12)11(14)7(2)13/h4-7H,3,13H2,1-2H3
InChIKeyJYMAHMLPNALPDS-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one

2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one (PubChem CID 82284127) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
PubChem CID82284127
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C11H14FNO2/c1-3-15-10-5-4-8(6-9(10)12)11(14)7(2)13/h4-7H,3,13H2,1-2H3
InChIKeyJYMAHMLPNALPDS-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
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CID 82287555
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
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CID 82287324
3-(4-ethoxy-3-fluorophenyl)-3-oxopropanenitrile
CID 116919053
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine
CID 95462072
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one (CID 82284127) is 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one is CCOc1ccc(C(=O)C(C)N)cc1F.
What is the InChIKey of 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one?
The InChIKey is JYMAHMLPNALPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-15-10-5-4-8(6-9(10)12)11(14)7(2)13/h4-7H,3,13H2,1-2H3.
What are the key properties of 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one?
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one has a molecular weight of 211.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one is sourced from PubChem (CID 82284127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).