3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine

C17H15FN2O — CID 63937172

IUPAC3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCc1ccccc1F
InChIInChI=1S/C17H15FN2O/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20)
InChIKeyOMUCWWBLYFOJPK-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.67
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine

3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine (PubChem CID 63937172) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine
PubChem CID63937172
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCc1ccccc1F
InChIInChI=1S/C17H15FN2O/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20)
InChIKeyOMUCWWBLYFOJPK-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine?
The IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine (CID 63937172) is 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine is Nc1nc2ccccc2cc1COCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine?
The InChIKey is OMUCWWBLYFOJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20).
What are the key properties of 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine?
3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine has a molecular weight of 282.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxymethyl]quinolin-2-amine is sourced from PubChem (CID 63937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).