1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine

C12H16N2O — CID 170958710

IUPAC1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
SMILESCC(C)c1nc2cccc(C(C)N)c2o1
InChIInChI=1S/C12H16N2O/c1-7(2)12-14-10-6-4-5-9(8(3)13)11(10)15-12/h4-8H,13H2,1-3H3
InChIKeyFPUOOOYVHUCDKC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine

1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine (PubChem CID 170958710) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
PubChem CID170958710
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
SMILESCC(C)c1nc2cccc(C(C)N)c2o1
InChIInChI=1S/C12H16N2O/c1-7(2)12-14-10-6-4-5-9(8(3)13)11(10)15-12/h4-8H,13H2,1-3H3
InChIKeyFPUOOOYVHUCDKC-UHFFFAOYSA-N
XLogP2.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82230825
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
(1R)-1-quinolin-5-ylethanamine
CID 55277010
1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
CID 105487507
1-[7-(2-methylpropyl)-1,3-benzoxazol-2-yl]ethanethiol
CID 90860519
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82277094
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine (CID 170958710) is 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine is CC(C)c1nc2cccc(C(C)N)c2o1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine?
The InChIKey is FPUOOOYVHUCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)12-14-10-6-4-5-9(8(3)13)11(10)15-12/h4-8H,13H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine?
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine is sourced from PubChem (CID 170958710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).