1-[methyl(2-phenylethyl)amino]pentan-2-one

C14H21NO — CID 65486864

IUPAC1-[methyl(2-phenylethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)CCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-7-14(16)12-15(2)11-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyZXPLQBYRUPLTPA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.53
Rot. Bonds7

About 1-[methyl(2-phenylethyl)amino]pentan-2-one

1-[methyl(2-phenylethyl)amino]pentan-2-one (PubChem CID 65486864) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[methyl(2-phenylethyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl(2-phenylethyl)amino]pentan-2-one
PubChem CID65486864
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[methyl(2-phenylethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)CCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-7-14(16)12-15(2)11-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyZXPLQBYRUPLTPA-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[methyl(2-phenylethyl)amino]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
4-[methyl-[2-(4-propylphenyl)ethyl]amino]-3-oxobutanenitrile
CID 117038559
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-methyl-N-(2-oxo-4-phenylbutyl)formamide
CID 12608028
1-(3,4-dihydroxyphenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65486677
1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one
CID 153381275
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-phenylethyl)amino]pentan-2-one?
The IUPAC name of 1-[methyl(2-phenylethyl)amino]pentan-2-one (CID 65486864) is 1-[methyl(2-phenylethyl)amino]pentan-2-one.
What is the SMILES notation for 1-[methyl(2-phenylethyl)amino]pentan-2-one?
The canonical SMILES for 1-[methyl(2-phenylethyl)amino]pentan-2-one is CCCC(=O)CN(C)CCc1ccccc1.
What is the InChIKey of 1-[methyl(2-phenylethyl)amino]pentan-2-one?
The InChIKey is ZXPLQBYRUPLTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-14(16)12-15(2)11-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of 1-[methyl(2-phenylethyl)amino]pentan-2-one?
1-[methyl(2-phenylethyl)amino]pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-phenylethyl)amino]pentan-2-one is sourced from PubChem (CID 65486864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).