1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol

C14H21NO2 — CID 82354946

IUPAC1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
SMILESCCCN1CC(C)Oc2ccc(C(C)O)cc21
InChIInChI=1S/C14H21NO2/c1-4-7-15-9-10(2)17-14-6-5-12(11(3)16)8-13(14)15/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyALACZHNQGWIJKH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol

1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol (PubChem CID 82354946) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
PubChem CID82354946
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
SMILESCCCN1CC(C)Oc2ccc(C(C)O)cc21
InChIInChI=1S/C14H21NO2/c1-4-7-15-9-10(2)17-14-6-5-12(11(3)16)8-13(14)15/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyALACZHNQGWIJKH-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486
N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355251
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
2-[(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354970
4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025258
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
CID 82340228
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-piperidin-4-ylmethanol
CID 82340244
2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142991
1-[6-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methylpropan-1-one
CID 82340853
2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The IUPAC name of 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol (CID 82354946) is 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The canonical SMILES for 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol is CCCN1CC(C)Oc2ccc(C(C)O)cc21.
What is the InChIKey of 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
The InChIKey is ALACZHNQGWIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-7-15-9-10(2)17-14-6-5-12(11(3)16)8-13(14)15/h5-6,8,10-11,16H,4,7,9H2,1-3H3.
What are the key properties of 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol?
1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol is sourced from PubChem (CID 82354946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).