2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

C19H23NO2 — CID 82228895

IUPAC2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)COc1ccc(CC2CNc3ccccc3O2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyJXTCNMTWLNETPA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.14
Rot. Bonds5

About 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228895) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228895
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)COc1ccc(CC2CNc3ccccc3O2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyJXTCNMTWLNETPA-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55000974
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-benzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine
CID 82376755
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61452567
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
(1R)-N-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 88950817
2-[(4-tert-butylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82228819
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402
2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82228808

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 82228895) is 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is CC(C)COc1ccc(CC2CNc3ccccc3O2)cc1.
What is the InChIKey of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is JXTCNMTWLNETPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)13-21-16-9-7-15(8-10-16)11-17-12-20-18-5-3-4-6-19(18)22-17/h3-10,14,17,20H,11-13H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 297.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).