4-methyl-2,3-dihydro-1,4-benzoxazine;propane

C15H27NO — CID 143401269

IUPAC4-methyl-2,3-dihydro-1,4-benzoxazine;propane
SMILESCCC.CCC.CN1CCOc2ccccc21
InChIInChI=1S/C9H11NO.2C3H8/c1-10-6-7-11-9-5-3-2-4-8(9)10;2*1-3-2/h2-5H,6-7H2,1H3;2*3H2,1-2H3
InChIKeySCYWQNPBDPSVEG-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.35
Rot. Bonds

About 4-methyl-2,3-dihydro-1,4-benzoxazine;propane

4-methyl-2,3-dihydro-1,4-benzoxazine;propane (PubChem CID 143401269) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-benzoxazine;propane.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-benzoxazine;propane
PubChem CID143401269
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-methyl-2,3-dihydro-1,4-benzoxazine;propane
SMILESCCC.CCC.CN1CCOc2ccccc21
InChIInChI=1S/C9H11NO.2C3H8/c1-10-6-7-11-9-5-3-2-4-8(9)10;2*1-3-2/h2-5H,6-7H2,1H3;2*3H2,1-2H3
InChIKeySCYWQNPBDPSVEG-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
4-methylsulfanyl-2,3-dihydro-1,4-benzoxazine
CID 146777459
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
4-[(2-ethylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 91648376
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-benzoxazine;propane?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-benzoxazine;propane (CID 143401269) is 4-methyl-2,3-dihydro-1,4-benzoxazine;propane.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-benzoxazine;propane?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-benzoxazine;propane is CCC.CCC.CN1CCOc2ccccc21.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-benzoxazine;propane?
The InChIKey is SCYWQNPBDPSVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.2C3H8/c1-10-6-7-11-9-5-3-2-4-8(9)10;2*1-3-2/h2-5H,6-7H2,1H3;2*3H2,1-2H3.
What are the key properties of 4-methyl-2,3-dihydro-1,4-benzoxazine;propane?
4-methyl-2,3-dihydro-1,4-benzoxazine;propane has a molecular weight of 237.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-benzoxazine;propane is sourced from PubChem (CID 143401269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).