(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

C11H13FN2O — CID 144615664

IUPAC(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2ccccc2F)CCOC(N)=N1
InChIInChI=1S/C11H13FN2O/c1-11(6-7-15-10(13)14-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyVKULNQLUACXLPD-NSHDSACASA-N
MW208.24 g/mol
LogP1.78
Rot. Bonds1

About (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 144615664) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID144615664
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2ccccc2F)CCOC(N)=N1
InChIInChI=1S/C11H13FN2O/c1-11(6-7-15-10(13)14-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyVKULNQLUACXLPD-NSHDSACASA-N
XLogP1.78
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966827
(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 118732788
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
(4S)-4-methyl-4-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966824
(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine
CID 24966826
(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine
CID 24966830
(4S)-4-[2-(2-fluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24968610

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (CID 144615664) is (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is C[C@@]1(c2ccccc2F)CCOC(N)=N1.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is VKULNQLUACXLPD-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(6-7-15-10(13)14-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14)/t11-/m0/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 208.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 144615664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).