3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one

C14H20FNO — CID 116557876

IUPAC3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
SMILESCc1cc(F)cc(C(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C14H20FNO/c1-10-7-11(9-12(15)8-10)13(17)5-6-16-14(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyKUNXFISIEBECHD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.10
Rot. Bonds4

About 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one

3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one (PubChem CID 116557876) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
PubChem CID116557876
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
SMILESCc1cc(F)cc(C(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C14H20FNO/c1-10-7-11(9-12(15)8-10)13(17)5-6-16-14(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyKUNXFISIEBECHD-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
CID 116561086
1-(3-fluoro-5-methylphenyl)-4-(methylamino)butan-1-one
CID 116555569
1-(3-fluoro-5-methylphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024524
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
CID 116565909
2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
CID 116588763
1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
CID 79704799
4-bromo-1-(3-fluoro-5-methylphenyl)butan-1-one
CID 146006918
3-(tert-butylamino)-1-(2,4-difluorophenyl)propan-1-one
CID 116557890
4-(tert-butylamino)-1-(3,5-difluorophenyl)butan-2-one
CID 105411896
3-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 116558013
1-(3-aminophenyl)-3-(tert-butylamino)propan-1-one
CID 96658922

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one (CID 116557876) is 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one is Cc1cc(F)cc(C(=O)CCNC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one?
The InChIKey is KUNXFISIEBECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-11(9-12(15)8-10)13(17)5-6-16-14(2,3)4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one?
3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one is sourced from PubChem (CID 116557876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).