2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine

C14H23NO2 — CID 159928014

IUPAC2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)(C)C.COc1cccc2c1NCCO2
InChIInChI=1S/C9H11NO2.C5H12/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;1-5(2,3)4/h2-4,10H,5-6H2,1H3;1-4H3
InChIKeyNZGQVBGRVRNXOR-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.55
Rot. Bonds1

About 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine

2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 159928014) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID159928014
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)(C)C.COc1cccc2c1NCCO2
InChIInChI=1S/C9H11NO2.C5H12/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;1-5(2,3)4/h2-4,10H,5-6H2,1H3;1-4H3
InChIKeyNZGQVBGRVRNXOR-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
methyl 2,3,4,5-tetrahydro-1,5-benzoxazepine-6-carboxylate
CID 115098661
5-butan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 137426093
3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
CID 14988451
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
7-tert-butyl-5-iodo-3,4-dihydro-2H-1,4-benzoxazine
CID 90244476
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
CID 156843779
8-methoxy-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105493234
ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide
CID 90710396
5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 166065942

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine (CID 159928014) is 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine is CC(C)(C)C.COc1cccc2c1NCCO2.
What is the InChIKey of 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is NZGQVBGRVRNXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H12/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;1-5(2,3)4/h2-4,10H,5-6H2,1H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 237.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 159928014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).