N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine

C17H15F2N2OP — CID 170021553

IUPACN-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1Nc1ccc(OC(F)(F)P)cc1
InChIInChI=1S/C17H15F2N2OP/c1-11-10-12-4-2-3-5-15(12)21-16(11)20-13-6-8-14(9-7-13)22-17(18,19)23/h2-10H,23H2,1H3,(H,20,21)
InChIKeyNDYUIBMXHVNHNP-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.09
Rot. Bonds4

About N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine

N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine (PubChem CID 170021553) has the molecular formula C17H15F2N2OP and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine
PubChem CID170021553
Molecular FormulaC17H15F2N2OP
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC NameN-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1Nc1ccc(OC(F)(F)P)cc1
InChIInChI=1S/C17H15F2N2OP/c1-11-10-12-4-2-3-5-15(12)21-16(11)20-13-6-8-14(9-7-13)22-17(18,19)23/h2-10H,23H2,1H3,(H,20,21)
InChIKeyNDYUIBMXHVNHNP-UHFFFAOYSA-N
XLogP5.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine (CID 170021553) is N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1Nc1ccc(OC(F)(F)P)cc1.
What is the InChIKey of N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine?
The InChIKey is NDYUIBMXHVNHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N2OP/c1-11-10-12-4-2-3-5-15(12)21-16(11)20-13-6-8-14(9-7-13)22-17(18,19)23/h2-10H,23H2,1H3,(H,20,21).
What are the key properties of N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine?
N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine has a molecular weight of 332.29 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[difluoro(phosphanyl)methoxy]phenyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 170021553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).