(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine

C15H25NO — CID 71228727

IUPAC(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESCCCC1=CC2=C(C[C@H]1CCC)NCC(C)O2
InChIInChI=1S/C15H25NO/c1-4-6-12-8-14-15(9-13(12)7-5-2)17-11(3)10-16-14/h9,11-12,16H,4-8,10H2,1-3H3/t11?,12-/m1/s1
InChIKeyOJNXHQOVPFJOBW-PIJUOVFKSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds4

About (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine

(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine (PubChem CID 71228727) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
PubChem CID71228727
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESCCCC1=CC2=C(C[C@H]1CCC)NCC(C)O2
InChIInChI=1S/C15H25NO/c1-4-6-12-8-14-15(9-13(12)7-5-2)17-11(3)10-16-14/h9,11-12,16H,4-8,10H2,1-3H3/t11?,12-/m1/s1
InChIKeyOJNXHQOVPFJOBW-PIJUOVFKSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine (CID 71228727) is (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine is CCCC1=CC2=C(C[C@H]1CCC)NCC(C)O2.
What is the InChIKey of (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is OJNXHQOVPFJOBW-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-12-8-14-15(9-13(12)7-5-2)17-11(3)10-16-14/h9,11-12,16H,4-8,10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 71228727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).