2-[4-(dimethylamino)phenyl]hexan-3-one

C14H21NO — CID 83048645

IUPAC2-[4-(dimethylamino)phenyl]hexan-3-one
SMILESCCCC(=O)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-6-14(16)11(2)12-7-9-13(10-8-12)15(3)4/h7-11H,5-6H2,1-4H3
InChIKeyKKMQUYFEIFTUGS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]hexan-3-one

2-[4-(dimethylamino)phenyl]hexan-3-one (PubChem CID 83048645) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]hexan-3-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]hexan-3-one
PubChem CID83048645
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-(dimethylamino)phenyl]hexan-3-one
SMILESCCCC(=O)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-6-14(16)11(2)12-7-9-13(10-8-12)15(3)4/h7-11H,5-6H2,1-4H3
InChIKeyKKMQUYFEIFTUGS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)hexan-3-one
CID 83047098
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]butanoate
CID 102373019
2-(4-methoxyphenyl)octan-3-one
CID 71426807
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369
1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
CID 154651058
2-[1-[4-(dimethylamino)phenyl]ethylamino]-2-methylpentanoic acid
CID 65055305
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one
CID 57211364
2-(2,6-difluorophenyl)hexan-3-one
CID 83046956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]hexan-3-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]hexan-3-one (CID 83048645) is 2-[4-(dimethylamino)phenyl]hexan-3-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]hexan-3-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]hexan-3-one is CCCC(=O)C(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]hexan-3-one?
The InChIKey is KKMQUYFEIFTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-14(16)11(2)12-7-9-13(10-8-12)15(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]hexan-3-one?
2-[4-(dimethylamino)phenyl]hexan-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]hexan-3-one is sourced from PubChem (CID 83048645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).