2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone

C14H21NO — CID 82101251

IUPAC2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CNC(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-6-7-12(8-11(10)2)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3
InChIKeyNLZXDNBBCJWZBK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone

2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone (PubChem CID 82101251) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
PubChem CID82101251
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CNC(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-6-7-12(8-11(10)2)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3
InChIKeyNLZXDNBBCJWZBK-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

1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
CID 116588763
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
5-[2-(tert-butylamino)acetyl]-2-hydroxybenzoic acid
CID 170132447
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
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
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
2-(tert-butylamino)-1-(3,5-dihydroxyphenyl)ethanone;hydrochloride
CID 71316269
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
CID 94266976
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone (CID 82101251) is 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CNC(C)(C)C)cc1C.
What is the InChIKey of 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is NLZXDNBBCJWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-12(8-11(10)2)13(16)9-15-14(3,4)5/h6-8,15H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone?
2-(tert-butylamino)-1-(3,4-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-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 82101251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).