3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one

C14H21NO — CID 116592721

IUPAC3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10,15H2,1-3H3
InChIKeySJUBBCWBANEVBF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds5

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

3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one (PubChem CID 116592721) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
PubChem CID116592721
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10,15H2,1-3H3
InChIKeySJUBBCWBANEVBF-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one
CID 116592649
3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
CID 116592724
3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
CID 103446225
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
CID 116573662
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
3-[1,1-dihydroxy-3-(4-methylphenyl)-2-oxopropyl]-1,1-diethylurea
CID 139936824
3-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylbutan-2-one
CID 79056100
3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
CID 116592613

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one (CID 116592721) is 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one is CCC(N)(CC)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one?
The InChIKey is SJUBBCWBANEVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10,15H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one?
3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 116592721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).