(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine

C15H15NO — CID 11195468

IUPAC(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(C[C@@H]2COc3ccccc3N2)cc1
InChIInChI=1S/C15H15NO/c1-2-6-12(7-3-1)10-13-11-17-15-9-5-4-8-14(15)16-13/h1-9,13,16H,10-11H2/t13-/m1/s1
InChIKeyYLHCKNZOPVOMQC-CYBMUJFWSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds2

About (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine

(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 11195468) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID11195468
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(C[C@@H]2COc3ccccc3N2)cc1
InChIInChI=1S/C15H15NO/c1-2-6-12(7-3-1)10-13-11-17-15-9-5-4-8-14(15)16-13/h1-9,13,16H,10-11H2/t13-/m1/s1
InChIKeyYLHCKNZOPVOMQC-CYBMUJFWSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 84652608
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
4-benzyl-1,3-oxazolidine
CID 22719793
(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 102189345
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
(3S)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 95426412
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
CID 102157327
(3S)-6-bromo-3-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 125486624
(5S,15R)-5,15-dibenzyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 21457258

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine (CID 11195468) is (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine is c1ccc(C[C@@H]2COc3ccccc3N2)cc1.
What is the InChIKey of (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YLHCKNZOPVOMQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-6-12(7-3-1)10-13-11-17-15-9-5-4-8-14(15)16-13/h1-9,13,16H,10-11H2/t13-/m1/s1.
What are the key properties of (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine?
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 225.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 11195468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).