2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one

C14H20FNO — CID 106883040

IUPAC2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H20FNO/c1-4-5-11(8-16)14(17)13-10(3)6-9(2)7-12(13)15/h6-7,11H,4-5,8,16H2,1-3H3
InChIKeyDNVICSHRJPHIQB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.00
Rot. Bonds5

About 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one

2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one (PubChem CID 106883040) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
PubChem CID106883040
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H20FNO/c1-4-5-11(8-16)14(17)13-10(3)6-9(2)7-12(13)15/h6-7,11H,4-5,8,16H2,1-3H3
InChIKeyDNVICSHRJPHIQB-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
3-(aminomethyl)-1-(5-fluoro-2-methylphenyl)hexan-2-one
CID 105376591
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
CID 82984112
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one (CID 106883040) is 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one is CCCC(CN)C(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one?
The InChIKey is DNVICSHRJPHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-5-11(8-16)14(17)13-10(3)6-9(2)7-12(13)15/h6-7,11H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one?
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one is sourced from PubChem (CID 106883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).