N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine

C12H14F2N2O — CID 139376476

IUPACN-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
SMILES[H]/N=C/c1c(F)cc(F)cc1NC1CCCCO1
InChIInChI=1S/C12H14F2N2O/c13-8-5-10(14)9(7-15)11(6-8)16-12-3-1-2-4-17-12/h5-7,12,15-16H,1-4H2/b15-7+
InChIKeyZOWVZOBGPMLHRY-VIZOYTHASA-N
MW240.25 g/mol
LogP2.90
Rot. Bonds3

About N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine

N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine (PubChem CID 139376476) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine.

Molecular Properties

Compound NameN-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
PubChem CID139376476
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
SMILES[H]/N=C/c1c(F)cc(F)cc1NC1CCCCO1
InChIInChI=1S/C12H14F2N2O/c13-8-5-10(14)9(7-15)11(6-8)16-12-3-1-2-4-17-12/h5-7,12,15-16H,1-4H2/b15-7+
InChIKeyZOWVZOBGPMLHRY-VIZOYTHASA-N
XLogP2.90
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5,6-difluoro-3-methanimidoyl-4-(oxan-2-ylamino)phenol
CID 171077735
2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
CID 139376447
N-(3-bromo-2-methanimidoyl-4-methylphenyl)oxan-2-amine
CID 177026949
4-[3-(azetidin-3-ylmethoxy)-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474338
N-(2-methanimidoyl-3-methyl-4-nitrophenyl)oxan-2-amine
CID 139365930
4-[3-[azetidin-3-ylmethyl(methyl)amino]-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474463
N-[2-methanimidoyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-2-amine
CID 155647290
2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
CID 143794618
N-[4-chloro-2-methanimidoyl-5-(4-methoxy-4-methylpent-1-ynyl)phenyl]oxan-2-amine
CID 155734773
6-methanimidoyl-4-methyl-7-(oxan-2-ylamino)-3-propan-2-ylisochromen-1-one
CID 156879532
N-[2-[3-(dimethylamino)propanimidoyl]-5-fluoro-4-methoxyphenyl]oxan-2-amine
CID 176657796
2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
CID 145480232

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine?
The IUPAC name of N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine (CID 139376476) is N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine.
What is the SMILES notation for N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine?
The canonical SMILES for N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine is [H]/N=C/c1c(F)cc(F)cc1NC1CCCCO1.
What is the InChIKey of N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine?
The InChIKey is ZOWVZOBGPMLHRY-VIZOYTHASA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-8-5-10(14)9(7-15)11(6-8)16-12-3-1-2-4-17-12/h5-7,12,15-16H,1-4H2/b15-7+.
What are the key properties of N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine?
N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine has a molecular weight of 240.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine is sourced from PubChem (CID 139376476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).