1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one

C17H24FNO — CID 115996606

IUPAC1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
SMILESCC1CCCN(CC(C)C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H24FNO/c1-13-6-5-10-19(11-9-13)12-14(2)17(20)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyRJHCVWFQQAMGAW-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one

1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one (PubChem CID 115996606) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
PubChem CID115996606
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
SMILESCC1CCCN(CC(C)C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H24FNO/c1-13-6-5-10-19(11-9-13)12-14(2)17(20)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyRJHCVWFQQAMGAW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10466963

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one (CID 115996606) is 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one is CC1CCCN(CC(C)C(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one?
The InChIKey is RJHCVWFQQAMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-6-5-10-19(11-9-13)12-14(2)17(20)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one?
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one is sourced from PubChem (CID 115996606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).