1-(methylamino)-6-phenylmethoxyhexan-3-one

C14H21NO2 — CID 130588813

IUPAC1-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCNCCC(=O)CCCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15-10-9-14(16)8-5-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-12H2,1H3
InChIKeyZMAJVXYTMVWBBM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds9

About 1-(methylamino)-6-phenylmethoxyhexan-3-one

1-(methylamino)-6-phenylmethoxyhexan-3-one (PubChem CID 130588813) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(methylamino)-6-phenylmethoxyhexan-3-one.

Molecular Properties

Compound Name1-(methylamino)-6-phenylmethoxyhexan-3-one
PubChem CID130588813
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCNCCC(=O)CCCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15-10-9-14(16)8-5-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-12H2,1H3
InChIKeyZMAJVXYTMVWBBM-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(methylamino)-6-phenylmethoxyhexan-3-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

(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165468105
3-oxo-6-phenylmethoxyhexanenitrile
CID 14769837
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
acetic acid;butoxymethylbenzene
CID 139463153
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
5-methoxy-1-phenylmethoxypentan-2-one
CID 130933829
methyl 8-phenylmethoxyoctanoate
CID 562206
CID 162408716
CID 162408716
chloro 4-phenylmethoxybutanoate
CID 143253301
2-oxo-5-phenylmethoxypentanal
CID 166844444

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-6-phenylmethoxyhexan-3-one?
The IUPAC name of 1-(methylamino)-6-phenylmethoxyhexan-3-one (CID 130588813) is 1-(methylamino)-6-phenylmethoxyhexan-3-one.
What is the SMILES notation for 1-(methylamino)-6-phenylmethoxyhexan-3-one?
The canonical SMILES for 1-(methylamino)-6-phenylmethoxyhexan-3-one is CNCCC(=O)CCCOCc1ccccc1.
What is the InChIKey of 1-(methylamino)-6-phenylmethoxyhexan-3-one?
The InChIKey is ZMAJVXYTMVWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-10-9-14(16)8-5-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-12H2,1H3.
What are the key properties of 1-(methylamino)-6-phenylmethoxyhexan-3-one?
1-(methylamino)-6-phenylmethoxyhexan-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-6-phenylmethoxyhexan-3-one is sourced from PubChem (CID 130588813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).