2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol

C14H22N2O2 — CID 82340302

IUPAC2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
SMILESCCN1CC(C)(C)Oc2ccc(C(O)CN)cc21
InChIInChI=1S/C14H22N2O2/c1-4-16-9-14(2,3)18-13-6-5-10(7-11(13)16)12(17)8-15/h5-7,12,17H,4,8-9,15H2,1-3H3
InChIKeyXFPZETRYXLYCMS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol

2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol (PubChem CID 82340302) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
PubChem CID82340302
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
SMILESCCN1CC(C)(C)Oc2ccc(C(O)CN)cc21
InChIInChI=1S/C14H22N2O2/c1-4-16-9-14(2,3)18-13-6-5-10(7-11(13)16)12(17)8-15/h5-7,12,17H,4,8-9,15H2,1-3H3
InChIKeyXFPZETRYXLYCMS-UHFFFAOYSA-N
XLogP1.68
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
CID 82340294
2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142990
2-chloro-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanone
CID 82340320
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82354834
(1S)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 11615507
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340334
2-(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82142563
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol?
The IUPAC name of 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol (CID 82340302) is 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol is CCN1CC(C)(C)Oc2ccc(C(O)CN)cc21.
What is the InChIKey of 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol?
The InChIKey is XFPZETRYXLYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16-9-14(2,3)18-13-6-5-10(7-11(13)16)12(17)8-15/h5-7,12,17H,4,8-9,15H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol?
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol is sourced from PubChem (CID 82340302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).