1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one

C14H15ClN2O2 — CID 82151863

IUPAC1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
SMILESNc1cccc(OCCCn2cc(Cl)ccc2=O)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-6-14(18)17(10-11)7-2-8-19-13-4-1-3-12(16)9-13/h1,3-6,9-10H,2,7-8,16H2
InChIKeyCHXDMJTWSRMCAA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one

1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one (PubChem CID 82151863) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
PubChem CID82151863
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
SMILESNc1cccc(OCCCn2cc(Cl)ccc2=O)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-6-14(18)17(10-11)7-2-8-19-13-4-1-3-12(16)9-13/h1,3-6,9-10H,2,7-8,16H2
InChIKeyCHXDMJTWSRMCAA-UHFFFAOYSA-N
XLogP2.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
1-[2-(3-aminophenoxy)ethyl]-5-chloropyrimidine-2,4-dione
CID 66423555
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
3-[2-(3-aminophenoxy)ethyl]-5-chloro-1,3-benzoxazol-2-one
CID 82097982
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one?
The IUPAC name of 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one (CID 82151863) is 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one.
What is the SMILES notation for 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one?
The canonical SMILES for 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one is Nc1cccc(OCCCn2cc(Cl)ccc2=O)c1.
What is the InChIKey of 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one?
The InChIKey is CHXDMJTWSRMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-5-6-14(18)17(10-11)7-2-8-19-13-4-1-3-12(16)9-13/h1,3-6,9-10H,2,7-8,16H2.
What are the key properties of 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one?
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one has a molecular weight of 278.74 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one is sourced from PubChem (CID 82151863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).