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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Related Compounds

1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
4-chloro-3-N-(3-methylquinolin-2-yl)benzene-1,3-diamine
CID 63229476
3-methyl-N-octan-4-ylquinolin-2-amine
CID 106026571
1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 50923303
(3-methylquinolin-2-yl)urea
CID 141055729
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
CID 132500565
N-(1-methoxypropan-2-yl)-3-methylquinolin-2-amine
CID 63229340
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310739

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).