6-[(4-chlorophenoxy)methyl]quinolin-2-amine

C16H13ClN2O — CID 155561303

IUPAC6-[(4-chlorophenoxy)methyl]quinolin-2-amine
SMILESNc1ccc2cc(COc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H13ClN2O/c17-13-3-5-14(6-4-13)20-10-11-1-7-15-12(9-11)2-8-16(18)19-15/h1-9H,10H2,(H2,18,19)
InChIKeySJBGPTUSTLFHLR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About 6-[(4-chlorophenoxy)methyl]quinolin-2-amine

6-[(4-chlorophenoxy)methyl]quinolin-2-amine (PubChem CID 155561303) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-[(4-chlorophenoxy)methyl]quinolin-2-amine.

Molecular Properties

Compound Name6-[(4-chlorophenoxy)methyl]quinolin-2-amine
PubChem CID155561303
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name6-[(4-chlorophenoxy)methyl]quinolin-2-amine
SMILESNc1ccc2cc(COc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H13ClN2O/c17-13-3-5-14(6-4-13)20-10-11-1-7-15-12(9-11)2-8-16(18)19-15/h1-9H,10H2,(H2,18,19)
InChIKeySJBGPTUSTLFHLR-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenoxy)methyl]quinolin-2-amine?
The IUPAC name of 6-[(4-chlorophenoxy)methyl]quinolin-2-amine (CID 155561303) is 6-[(4-chlorophenoxy)methyl]quinolin-2-amine.
What is the SMILES notation for 6-[(4-chlorophenoxy)methyl]quinolin-2-amine?
The canonical SMILES for 6-[(4-chlorophenoxy)methyl]quinolin-2-amine is Nc1ccc2cc(COc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 6-[(4-chlorophenoxy)methyl]quinolin-2-amine?
The InChIKey is SJBGPTUSTLFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-3-5-14(6-4-13)20-10-11-1-7-15-12(9-11)2-8-16(18)19-15/h1-9H,10H2,(H2,18,19).
What are the key properties of 6-[(4-chlorophenoxy)methyl]quinolin-2-amine?
6-[(4-chlorophenoxy)methyl]quinolin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenoxy)methyl]quinolin-2-amine is sourced from PubChem (CID 155561303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).