2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

C15H22N2O2 — CID 64596935

IUPAC2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCC1CCN(CC2CNc3ccccc3O2)C1
InChIInChI=1S/C15H22N2O2/c1-18-11-12-6-7-17(9-12)10-13-8-16-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyKEQJCTGDSLHSFF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.83
Rot. Bonds4

About 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 64596935) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID64596935
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCC1CCN(CC2CNc3ccccc3O2)C1
InChIInChI=1S/C15H22N2O2/c1-18-11-12-6-7-17(9-12)10-13-8-16-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyKEQJCTGDSLHSFF-UHFFFAOYSA-N
XLogP1.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 102963813
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43620468
2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199391
2-[(4,4-dimethylazepan-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 65282637
2-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 23029797
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
CID 62545756
2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199722
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 55170009
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228863

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 64596935) is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is COCC1CCN(CC2CNc3ccccc3O2)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KEQJCTGDSLHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-11-12-6-7-17(9-12)10-13-8-16-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 262.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 64596935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).