3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol

C16H25NO2 — CID 82162538

IUPAC3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol
SMILESCCC1(CC)CN(CCCO)c2cc(C)ccc2O1
InChIInChI=1S/C16H25NO2/c1-4-16(5-2)12-17(9-6-10-18)14-11-13(3)7-8-15(14)19-16/h7-8,11,18H,4-6,9-10,12H2,1-3H3
InChIKeyBKOGSSZPOYDZIJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds5

About 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol

3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol (PubChem CID 82162538) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol
PubChem CID82162538
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol
SMILESCCC1(CC)CN(CCCO)c2cc(C)ccc2O1
InChIInChI=1S/C16H25NO2/c1-4-16(5-2)12-17(9-6-10-18)14-11-13(3)7-8-15(14)19-16/h7-8,11,18H,4-6,9-10,12H2,1-3H3
InChIKeyBKOGSSZPOYDZIJ-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82162526
2,2-diethyl-4-(2-hydroxyethyl)-3H-1,4-benzoxazin-6-ol
CID 82162195
4-butyl-2,2-diethyl-3H-1,4-benzoxazin-6-amine
CID 82162240
2-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)butanoic acid
CID 82162527
2,2-diethyl-4-hexyl-3H-1,4-benzoxazin-6-amine
CID 82162242
2,2-diethyl-4-(2-hydroxyethyl)-3H-1,4-benzoxazin-7-ol
CID 82162214
3-(6-chloro-2,2-diethyl-3H-1,4-benzoxazin-4-yl)propanenitrile
CID 82162556
2-(2,2-diethyl-6-hydroxy-3H-1,4-benzoxazin-4-yl)acetonitrile
CID 82162571
2,2-diethyl-4-pentyl-3H-1,4-benzoxazin-7-amine
CID 82162223
2,2-diethyl-4-heptyl-3H-1,4-benzoxazin-7-amine
CID 82162228
2-(2,2-diethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82162497
4-(3-bromopropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 118225629

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol?
The IUPAC name of 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol (CID 82162538) is 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol is CCC1(CC)CN(CCCO)c2cc(C)ccc2O1.
What is the InChIKey of 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol?
The InChIKey is BKOGSSZPOYDZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(5-2)12-17(9-6-10-18)14-11-13(3)7-8-15(14)19-16/h7-8,11,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol?
3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethyl-6-methyl-3H-1,4-benzoxazin-4-yl)propan-1-ol is sourced from PubChem (CID 82162538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).