5-[4-(ethylamino)phenyl]pentan-2-one

C13H19NO — CID 71063356

IUPAC5-[4-(ethylamino)phenyl]pentan-2-one
SMILESCCNc1ccc(CCCC(C)=O)cc1
InChIInChI=1S/C13H19NO/c1-3-14-13-9-7-12(8-10-13)6-4-5-11(2)15/h7-10,14H,3-6H2,1-2H3
InChIKeySPSCHVFWRQFUHP-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.03
Rot. Bonds6

About 5-[4-(ethylamino)phenyl]pentan-2-one

5-[4-(ethylamino)phenyl]pentan-2-one (PubChem CID 71063356) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-[4-(ethylamino)phenyl]pentan-2-one.

Molecular Properties

Compound Name5-[4-(ethylamino)phenyl]pentan-2-one
PubChem CID71063356
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-[4-(ethylamino)phenyl]pentan-2-one
SMILESCCNc1ccc(CCCC(C)=O)cc1
InChIInChI=1S/C13H19NO/c1-3-14-13-9-7-12(8-10-13)6-4-5-11(2)15/h7-10,14H,3-6H2,1-2H3
InChIKeySPSCHVFWRQFUHP-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
N-ethyl-4-nonylaniline
CID 154108619
5-phenylpentan-2-one
CID 16701
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
2-hydroxy-N-[4-(4-oxopentyl)phenyl]benzamide
CID 22944662
4-(4-hexylphenyl)butan-2-one
CID 67820742
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
N,4-diethylaniline
CID 6429431
3-(4-propylanilino)propanamide
CID 43244066
bis[4-(ethylamino)phenyl]methanone
CID 157337395

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylamino)phenyl]pentan-2-one?
The IUPAC name of 5-[4-(ethylamino)phenyl]pentan-2-one (CID 71063356) is 5-[4-(ethylamino)phenyl]pentan-2-one.
What is the SMILES notation for 5-[4-(ethylamino)phenyl]pentan-2-one?
The canonical SMILES for 5-[4-(ethylamino)phenyl]pentan-2-one is CCNc1ccc(CCCC(C)=O)cc1.
What is the InChIKey of 5-[4-(ethylamino)phenyl]pentan-2-one?
The InChIKey is SPSCHVFWRQFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-13-9-7-12(8-10-13)6-4-5-11(2)15/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 5-[4-(ethylamino)phenyl]pentan-2-one?
5-[4-(ethylamino)phenyl]pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)phenyl]pentan-2-one is sourced from PubChem (CID 71063356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).