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

C14H21NO — CID 116592724

IUPAC3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3
InChIKeyCXLWYKRTYHPQAD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds5

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

3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one (PubChem CID 116592724) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
PubChem CID116592724
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3
InChIKeyCXLWYKRTYHPQAD-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-methylphenyl)pentan-2-one
CID 116592721
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one
CID 116592649
5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116571386
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
CID 116592613
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
3-amino-1-(3-chlorophenyl)-3-methylpentan-2-one
CID 116590344
diethyl 2-ethyl-2-[(3-methylphenyl)methyl]propanedioate
CID 103972968
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one (CID 116592724) is 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one is CCC(N)(CC)C(=O)Cc1cccc(C)c1.
What is the InChIKey of 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one?
The InChIKey is CXLWYKRTYHPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-14(15,5-2)13(16)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one?
3-amino-3-ethyl-1-(3-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-(3-methylphenyl)pentan-2-one is sourced from PubChem (CID 116592724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).