2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one

C14H21NO — CID 64866924

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-14(16)12(3)15(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3
InChIKeyCBQDPLSDIHBYKH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds5

About 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one

2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one (PubChem CID 64866924) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
PubChem CID64866924
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-14(16)12(3)15(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3
InChIKeyCBQDPLSDIHBYKH-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024649
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
CID 83047917
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
5-[1-[methyl-[(4-methylphenyl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79083648
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one (CID 64866924) is 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one is CCC(=O)C(C)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one?
The InChIKey is CBQDPLSDIHBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(16)12(3)15(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one?
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one is sourced from PubChem (CID 64866924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).