2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one

C12H16FNO2 — CID 82287555

IUPAC2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C12H16FNO2/c1-7(2)16-11-5-4-9(6-10(11)13)12(15)8(3)14/h4-8H,14H2,1-3H3
InChIKeyOQKRTJHDZSEKFS-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one

2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82287555) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82287555
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C12H16FNO2/c1-7(2)16-11-5-4-9(6-10(11)13)12(15)8(3)14/h4-8H,14H2,1-3H3
InChIKeyOQKRTJHDZSEKFS-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.14
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
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
2-bromo-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanone
CID 82489135
methyl 3-(3-fluoro-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95463518
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
CID 82485496
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one (CID 82287555) is 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(C(=O)C(C)N)cc1F.
What is the InChIKey of 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is OQKRTJHDZSEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7(2)16-11-5-4-9(6-10(11)13)12(15)8(3)14/h4-8H,14H2,1-3H3.
What are the key properties of 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one?
2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 225.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82287555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).