1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one

C15H21NO — CID 116613275

IUPAC1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
SMILESC=CCCCC(=O)c1ccccc1CCNC
InChIInChI=1S/C15H21NO/c1-3-4-5-10-15(17)14-9-7-6-8-13(14)11-12-16-2/h3,6-9,16H,1,4-5,10-12H2,2H3
InChIKeyRBQMVPJNFXHXOV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds8

About 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one

1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one (PubChem CID 116613275) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one.

Molecular Properties

Compound Name1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
PubChem CID116613275
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
SMILESC=CCCCC(=O)c1ccccc1CCNC
InChIInChI=1S/C15H21NO/c1-3-4-5-10-15(17)14-9-7-6-8-13(14)11-12-16-2/h3,6-9,16H,1,4-5,10-12H2,2H3
InChIKeyRBQMVPJNFXHXOV-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-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

1-[2-(2-aminoethyl)phenyl]oct-7-en-1-one
CID 107010889
4-ethylsulfonyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613249
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
1-(2-phenylphenyl)hex-5-en-1-one
CID 69047929
1-[2-(hydroxymethyl)phenyl]-5-(methylamino)pentan-1-one
CID 59150771
N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104548197
2-[2-(methylamino)ethyl]benzamide
CID 69094527
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one?
The IUPAC name of 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one (CID 116613275) is 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one.
What is the SMILES notation for 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one?
The canonical SMILES for 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one is C=CCCCC(=O)c1ccccc1CCNC.
What is the InChIKey of 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one?
The InChIKey is RBQMVPJNFXHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-5-10-15(17)14-9-7-6-8-13(14)11-12-16-2/h3,6-9,16H,1,4-5,10-12H2,2H3.
What are the key properties of 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one?
1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one is sourced from PubChem (CID 116613275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).