1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one

C15H22FNO — CID 43796057

IUPAC1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
SMILESCCCCCN(C)CC(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-4-7-10-17(2)12-14(18)11-13-8-5-6-9-15(13)16/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChIKeyDMSZJOFLYODWJB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.06
Rot. Bonds8

About 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one

1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one (PubChem CID 43796057) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
PubChem CID43796057
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
SMILESCCCCCN(C)CC(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-4-7-10-17(2)12-14(18)11-13-8-5-6-9-15(13)16/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChIKeyDMSZJOFLYODWJB-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
1-(2-fluorophenyl)octan-2-one
CID 62620630
1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
N-ethyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62036688
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
CID 103103060
1-(2-fluorophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-one
CID 63236723
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one (CID 43796057) is 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one is CCCCCN(C)CC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one?
The InChIKey is DMSZJOFLYODWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-4-7-10-17(2)12-14(18)11-13-8-5-6-9-15(13)16/h5-6,8-9H,3-4,7,10-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one?
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one is sourced from PubChem (CID 43796057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).