1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one

C16H25NO — CID 162154746

IUPAC1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one
SMILESCCCC(=O)Cc1ccc(N(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-7-15(18)12-13-8-10-14(11-9-13)17(5)16(2,3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyZIZJINKDQCSVPN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.83
Rot. Bonds5

About 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one

1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one (PubChem CID 162154746) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one
PubChem CID162154746
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one
SMILESCCCC(=O)Cc1ccc(N(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-7-15(18)12-13-8-10-14(11-9-13)17(5)16(2,3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyZIZJINKDQCSVPN-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[tert-butyl(methyl)amino]phenyl]-4-methylpentan-2-one
CID 159052231
4-(2-oxopentyl)benzoic acid
CID 23022561
1-(4-methylsulfanylphenyl)pentan-2-one
CID 91656008
bis[4-[tert-butyl(methyl)amino]phenyl]methanone
CID 18006656
1-(4-benzoylphenyl)pentan-2-one
CID 70524475
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
6-[4-(5,5-dimethyl-2,6-dioxohexyl)phenyl]-2,2-dimethyl-5-oxohexanal
CID 10291911
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368
1-(4-hydroxy-3-methylphenyl)pentan-2-one
CID 118271317
1-(3-chloro-4-methylphenyl)pentan-2-one
CID 159318556
1-[4-(2,2-dimethylpropyl)phenyl]-4-(2-propoxyethoxy)butan-2-one
CID 164986754
1-(4-methylphenyl)undecan-2-one
CID 63409898

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one?
The IUPAC name of 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one (CID 162154746) is 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one.
What is the SMILES notation for 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one?
The canonical SMILES for 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one is CCCC(=O)Cc1ccc(N(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one?
The InChIKey is ZIZJINKDQCSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-7-15(18)12-13-8-10-14(11-9-13)17(5)16(2,3)4/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one?
1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(methyl)amino]phenyl]pentan-2-one is sourced from PubChem (CID 162154746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).