4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine

C16H17ClN2O — CID 45486213

IUPAC4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine
SMILESCc1c(Cl)cccc1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(3-2-4-15(12)17)13-5-6-16(18-11-13)19-7-9-20-10-8-19/h2-6,11H,7-10H2,1H3
InChIKeyHZZLLBXSPSCLHK-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.55
Rot. Bonds2

About 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine

4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine (PubChem CID 45486213) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine
PubChem CID45486213
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine
SMILESCc1c(Cl)cccc1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(3-2-4-15(12)17)13-5-6-16(18-11-13)19-7-9-20-10-8-19/h2-6,11H,7-10H2,1H3
InChIKeyHZZLLBXSPSCLHK-UHFFFAOYSA-N
XLogP3.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine (CID 45486213) is 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine is Cc1c(Cl)cccc1-c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine?
The InChIKey is HZZLLBXSPSCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-14(3-2-4-15(12)17)13-5-6-16(18-11-13)19-7-9-20-10-8-19/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine?
4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine has a molecular weight of 288.78 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-2-methylphenyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 45486213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).