3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one

C15H23NO — CID 116557940

IUPAC3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
SMILESCCc1cccc(C(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-12-7-6-8-13(11-12)14(17)9-10-16-15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyFONJOTYEXSAYAK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds5

About 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one

3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one (PubChem CID 116557940) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
PubChem CID116557940
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
SMILESCCc1cccc(C(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-12-7-6-8-13(11-12)14(17)9-10-16-15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyFONJOTYEXSAYAK-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-3-(tert-butylamino)propan-1-one
CID 96658922
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-(3-ethylphenyl)octan-1-one
CID 115788827
3-ethylbenzoic acid;propane
CID 177324794
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
5-amino-1-(3-ethylphenyl)hexan-1-one
CID 116610152
3-ethyl-N-methylbenzamide
CID 59115297
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-(2,2-difluoroethoxy)-1-(3-ethylphenyl)propan-1-one
CID 103147217
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886
3-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116558007

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one (CID 116557940) is 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one is CCc1cccc(C(=O)CCNC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one?
The InChIKey is FONJOTYEXSAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12-7-6-8-13(11-12)14(17)9-10-16-15(2,3)4/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one?
3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.21, 5 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-ethylphenyl)propan-1-one is sourced from PubChem (CID 116557940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).