1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine

C12H16N2O — CID 105456484

IUPAC1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(C)c1noc2cc(C(C)N)ccc12
InChIInChI=1S/C12H16N2O/c1-7(2)12-10-5-4-9(8(3)13)6-11(10)15-14-12/h4-8H,13H2,1-3H3
InChIKeySBBKPLOBXXIWNL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds2

About 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine

1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine (PubChem CID 105456484) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine
PubChem CID105456484
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(C)c1noc2cc(C(C)N)ccc12
InChIInChI=1S/C12H16N2O/c1-7(2)12-10-5-4-9(8(3)13)6-11(10)15-14-12/h4-8H,13H2,1-3H3
InChIKeySBBKPLOBXXIWNL-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

Analyze 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine 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

1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
CID 105470013
3-propan-2-yl-1,2-benzoxazole-6-carboxylic acid
CID 105457090
5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole
CID 170000118
1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
CID 105436496
1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 121384031
6-[2-(1,2-benzothiazol-3-yl)propyl]-3-propan-2-yl-1,2-benzoxazole
CID 155249841
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
CID 22402925
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
1-naphthalen-2-ylethanamine
CID 3857145
3-propan-2-yl-[1,2]oxazolo[5,4-c]pyridazine
CID 130232072
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine?
The IUPAC name of 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine (CID 105456484) is 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine?
The canonical SMILES for 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine is CC(C)c1noc2cc(C(C)N)ccc12.
What is the InChIKey of 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine?
The InChIKey is SBBKPLOBXXIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)12-10-5-4-9(8(3)13)6-11(10)15-14-12/h4-8H,13H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine?
1-(3-propan-2-yl-1,2-benzoxazol-6-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-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine is sourced from PubChem (CID 105456484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).