2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone

C17H27NO — CID 112510754

IUPAC2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
SMILESCCC(C)NCC(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H27NO/c1-7-13(3)18-11-16(19)15-10-14(17(4,5)6)9-8-12(15)2/h8-10,13,18H,7,11H2,1-6H3
InChIKeyJQAVNVKYPCGRER-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone

2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone (PubChem CID 112510754) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
PubChem CID112510754
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
SMILESCCC(C)NCC(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H27NO/c1-7-13(3)18-11-16(19)15-10-14(17(4,5)6)9-8-12(15)2/h8-10,13,18H,7,11H2,1-6H3
InChIKeyJQAVNVKYPCGRER-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone
CID 82101728
1-(5-tert-butyl-2-methylphenyl)-2-(ethylamino)butan-1-one
CID 112512759
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
1-(butan-2-ylamino)-3-(4-tert-butylphenyl)propan-2-one
CID 116556209
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
CID 116915472
2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
CID 116556091
2-(butan-2-ylamino)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116556128
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
N-[(2S)-butan-2-yl]-4-(4-tert-butyl-2-methylphenoxy)butan-1-amine
CID 2181390
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
CID 116920619

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone (CID 112510754) is 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone is CCC(C)NCC(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone?
The InChIKey is JQAVNVKYPCGRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-13(3)18-11-16(19)15-10-14(17(4,5)6)9-8-12(15)2/h8-10,13,18H,7,11H2,1-6H3.
What are the key properties of 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone?
2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone is sourced from PubChem (CID 112510754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).