2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol

C14H19FN2O2 — CID 139376447

IUPAC2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
SMILES[H]/N=C/c1c(O)c(F)c(C)c(C)c1NC1CCCCO1
InChIInChI=1S/C14H19FN2O2/c1-8-9(2)13(10(7-16)14(18)12(8)15)17-11-5-3-4-6-19-11/h7,11,16-18H,3-6H2,1-2H3/b16-7+
InChIKeyDCIMMYKOMYBJMR-FRKPEAEDSA-N
MW266.32 g/mol
LogP3.08
Rot. Bonds3

About 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol

2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol (PubChem CID 139376447) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol.

Molecular Properties

Compound Name2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
PubChem CID139376447
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
SMILES[H]/N=C/c1c(O)c(F)c(C)c(C)c1NC1CCCCO1
InChIInChI=1S/C14H19FN2O2/c1-8-9(2)13(10(7-16)14(18)12(8)15)17-11-5-3-4-6-19-11/h7,11,16-18H,3-6H2,1-2H3/b16-7+
InChIKeyDCIMMYKOMYBJMR-FRKPEAEDSA-N
XLogP3.08
TPSA65.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5,6-difluoro-3-methanimidoyl-4-(oxan-2-ylamino)phenol
CID 171077735
N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
CID 139376476
N-(2-methanimidoyl-3-methyl-4-nitrophenyl)oxan-2-amine
CID 139365930
N-(3-bromo-2-methanimidoyl-4-methylphenyl)oxan-2-amine
CID 177026949
2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
CID 143794618
N-[2-methanimidoyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-2-amine
CID 155647290
4-[3-[azetidin-3-ylmethyl(methyl)amino]-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474463
2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
CID 145480232
4-[3-(azetidin-3-ylmethoxy)-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474338
6-methanimidoyl-4-methyl-7-(oxan-2-ylamino)-3-propan-2-ylisochromen-1-one
CID 156879532
3-hydroxy-2-methoxy-6-(oxan-2-ylamino)benzenecarboximidoyl iodide
CID 167156062
6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
CID 142525089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol?
The IUPAC name of 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol (CID 139376447) is 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol.
What is the SMILES notation for 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol?
The canonical SMILES for 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol is [H]/N=C/c1c(O)c(F)c(C)c(C)c1NC1CCCCO1.
What is the InChIKey of 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol?
The InChIKey is DCIMMYKOMYBJMR-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8-9(2)13(10(7-16)14(18)12(8)15)17-11-5-3-4-6-19-11/h7,11,16-18H,3-6H2,1-2H3/b16-7+.
What are the key properties of 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol?
2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol has a molecular weight of 266.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol is sourced from PubChem (CID 139376447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).