2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine

C12H20N2O — CID 83884013

IUPAC2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
SMILESCC(C)c1nc2c(o1)CCCC2CCN
InChIInChI=1S/C12H20N2O/c1-8(2)12-14-11-9(6-7-13)4-3-5-10(11)15-12/h8-9H,3-7,13H2,1-2H3
InChIKeySLXOIIYAKOZHPZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine

2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine (PubChem CID 83884013) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
PubChem CID83884013
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
SMILESCC(C)c1nc2c(o1)CCCC2CCN
InChIInChI=1S/C12H20N2O/c1-8(2)12-14-11-9(6-7-13)4-3-5-10(11)15-12/h8-9H,3-7,13H2,1-2H3
InChIKeySLXOIIYAKOZHPZ-UHFFFAOYSA-N
XLogP2.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine (CID 83884013) is 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine is CC(C)c1nc2c(o1)CCCC2CCN.
What is the InChIKey of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
The InChIKey is SLXOIIYAKOZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12-14-11-9(6-7-13)4-3-5-10(11)15-12/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine?
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine has a molecular weight of 208.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 83884013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).