2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone

C14H21NO — CID 116588763

IUPAC2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)CNC(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)8-12(7-10)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3
InChIKeyIPHWZORULIONJF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone

2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 116588763) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
PubChem CID116588763
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)CNC(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)8-12(7-10)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3
InChIKeyIPHWZORULIONJF-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3,5-dihydroxyphenyl)ethanone;hydrochloride
CID 71316269
2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251
3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 116557876
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
CID 162413876
CID 162413876
5-[2-(tert-butylamino)acetyl]-2-hydroxybenzoic acid
CID 170132447
2-(tert-butylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 82101698
2-(tert-butylamino)-1-(4-hydroxy-3-methylsulfinylphenyl)ethanone
CID 20542451
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
[4-[2-(tert-butylamino)acetyl]-2-(4-methylphenoxy)phenyl] acetate
CID 54457261
4-[2-(tert-butylamino)acetyl]pyridine-2-carbonitrile
CID 170645061

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone (CID 116588763) is 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)CNC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is IPHWZORULIONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-11(2)8-12(7-10)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone?
2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116588763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).