2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one

C14H21NO — CID 44543118

IUPAC2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)NC(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
InChIKeyYDGOUEKZXBLUDG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one

2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one (PubChem CID 44543118) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one
PubChem CID44543118
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)NC(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
InChIKeyYDGOUEKZXBLUDG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one (CID 44543118) is 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)C(C)NC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one?
The InChIKey is YDGOUEKZXBLUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one?
2-(tert-butylamino)-1-(3-methylphenyl)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.95, 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-methylphenyl)propan-1-one is sourced from PubChem (CID 44543118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).