2-(ethylamino)-1-(4-methylphenyl)hexan-1-one

C15H23NO — CID 165361446

IUPAC2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
SMILESCCCCC(NCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-4-6-7-14(16-5-2)15(17)13-10-8-12(3)9-11-13/h8-11,14,16H,4-7H2,1-3H3
InChIKeyMWMHPKRDZIOULW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.35
Rot. Bonds7

About 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one

2-(ethylamino)-1-(4-methylphenyl)hexan-1-one (PubChem CID 165361446) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
PubChem CID165361446
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
SMILESCCCCC(NCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-4-6-7-14(16-5-2)15(17)13-10-8-12(3)9-11-13/h8-11,14,16H,4-7H2,1-3H3
InChIKeyMWMHPKRDZIOULW-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
(2R,3S)-2,3-dihydroxy-1-(4-methylphenyl)heptan-1-one
CID 134930916
4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate
CID 3693234
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
methyl 4-(4-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82347471
4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 82347835
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
hexane;methyl 4-methylbenzoate
CID 143689226
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one (CID 165361446) is 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one is CCCCC(NCC)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one?
The InChIKey is MWMHPKRDZIOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-7-14(16-5-2)15(17)13-10-8-12(3)9-11-13/h8-11,14,16H,4-7H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one?
2-(ethylamino)-1-(4-methylphenyl)hexan-1-one has a molecular weight of 233.36 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-methylphenyl)hexan-1-one is sourced from PubChem (CID 165361446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).