1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one

C15H23NO — CID 116915878

IUPAC1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
SMILESCCC(C)c1ccc(C(=O)CCCNC)cc1
InChIInChI=1S/C15H23NO/c1-4-12(2)13-7-9-14(10-8-13)15(17)6-5-11-16-3/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyHAMZVBYBAKIRCP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.38
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one

1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one (PubChem CID 116915878) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
PubChem CID116915878
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
SMILESCCC(C)c1ccc(C(=O)CCCNC)cc1
InChIInChI=1S/C15H23NO/c1-4-12(2)13-7-9-14(10-8-13)15(17)6-5-11-16-3/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyHAMZVBYBAKIRCP-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-butan-2-ylphenyl)-5-oxopentanenitrile
CID 112508119
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
N-[2-(4-butan-2-ylphenyl)-2-oxoethyl]methanesulfonamide
CID 112511088
4-butan-2-ylbenzohydrazide
CID 83386529
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one (CID 116915878) is 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one is CCC(C)c1ccc(C(=O)CCCNC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one?
The InChIKey is HAMZVBYBAKIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12(2)13-7-9-14(10-8-13)15(17)6-5-11-16-3/h7-10,12,16H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one?
1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one is sourced from PubChem (CID 116915878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).