(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C11H14ClNO2 — CID 58628151

IUPAC(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccc(Cl)cc2O1
InChIInChI=1S/C11H14ClNO2/c1-13-6-9(7-14-2)15-11-5-8(12)3-4-10(11)13/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyNLZFJBZHXKSPRG-SECBINFHSA-N
MW227.69 g/mol
LogP2.18
Rot. Bonds2

About (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 58628151) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID58628151
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOC[C@H]1CN(C)c2ccc(Cl)cc2O1
InChIInChI=1S/C11H14ClNO2/c1-13-6-9(7-14-2)15-11-5-8(12)3-4-10(11)13/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyNLZFJBZHXKSPRG-SECBINFHSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 58628151) is (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is COC[C@H]1CN(C)c2ccc(Cl)cc2O1.
What is the InChIKey of (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is NLZFJBZHXKSPRG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13-6-9(7-14-2)15-11-5-8(12)3-4-10(11)13/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 227.69 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 58628151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).