2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one

C17H18ClNO2 — CID 46307731

IUPAC2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
SMILESCCCC(Oc1ccc(N)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-3-16(21-15-10-8-14(19)9-11-15)17(20)12-4-6-13(18)7-5-12/h4-11,16H,2-3,19H2,1H3
InChIKeyYDFPAGXGOAZOQM-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one

2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one (PubChem CID 46307731) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
PubChem CID46307731
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
SMILESCCCC(Oc1ccc(N)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-3-16(21-15-10-8-14(19)9-11-15)17(20)12-4-6-13(18)7-5-12/h4-11,16H,2-3,19H2,1H3
InChIKeyYDFPAGXGOAZOQM-UHFFFAOYSA-N
XLogP4.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
CID 46307484
2-(4-chlorophenoxy)-1-pyrimidin-5-ylhexan-1-one
CID 86153664
ethyl (2R)-3-(4-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenoxy)propanoate
CID 129384042
methyl 2-[4-(4-chlorobenzoyl)phenoxy]hexanoate
CID 146594128
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]butanoate
CID 153490802
2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
CID 19817135
1-(4-chlorophenyl)-2-hydroxypentan-1-one
CID 103453897
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
1-(4-chlorophenoxy)butan-1-ol
CID 23332143

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one (CID 46307731) is 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one is CCCC(Oc1ccc(N)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one?
The InChIKey is YDFPAGXGOAZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-3-16(21-15-10-8-14(19)9-11-15)17(20)12-4-6-13(18)7-5-12/h4-11,16H,2-3,19H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one?
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one has a molecular weight of 303.79 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one is sourced from PubChem (CID 46307731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).