4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one

C15H23NO — CID 116573662

IUPAC4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C15H23NO/c1-11-6-8-12(9-7-11)10-13(17)14(2,3)15(4,5)16/h6-9H,10,16H2,1-5H3
InChIKeyRSNWDGWURAQWBT-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.87
Rot. Bonds4

About 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one

4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one (PubChem CID 116573662) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
PubChem CID116573662
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C15H23NO/c1-11-6-8-12(9-7-11)10-13(17)14(2,3)15(4,5)16/h6-9H,10,16H2,1-5H3
InChIKeyRSNWDGWURAQWBT-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
CID 103446225
3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 116592721
3-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylbutan-2-one
CID 79056100
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
4-amino-1-(5-bromothiophen-2-yl)-3,3,4-trimethylpentan-2-one
CID 116573509
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
4-amino-1-(2-methoxyphenyl)-3,3,4-trimethylpentan-2-one
CID 116573767
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one?
The IUPAC name of 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one (CID 116573662) is 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one?
The canonical SMILES for 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one is Cc1ccc(CC(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one?
The InChIKey is RSNWDGWURAQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-8-12(9-7-11)10-13(17)14(2,3)15(4,5)16/h6-9H,10,16H2,1-5H3.
What are the key properties of 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one?
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 116573662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).