2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine

C13H18N2O — CID 105472824

IUPAC2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(C)(C)c1noc2cc(CCN)ccc12
InChIInChI=1S/C13H18N2O/c1-13(2,3)12-10-5-4-9(6-7-14)8-11(10)16-15-12/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXEYXFUXIAQMHCM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.63
Rot. Bonds2

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

2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine (PubChem CID 105472824) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
PubChem CID105472824
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(C)(C)c1noc2cc(CCN)ccc12
InChIInChI=1S/C13H18N2O/c1-13(2,3)12-10-5-4-9(6-7-14)8-11(10)16-15-12/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXEYXFUXIAQMHCM-UHFFFAOYSA-N
XLogP2.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848
3-tert-butyl-1,2-benzoxazole-6-carbaldehyde
CID 105455201
2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
CID 105490205
2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
CID 84683071
ethane;6-ethyl-1,2-benzoxazol-3-amine
CID 143545769
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
5-(2-aminoethyl)-1,3-benzodioxol-2-one
CID 84656757
2-(3-cyclopropyl-1-benzofuran-6-yl)ethanamine
CID 84670147
N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
CID 84665921
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine (CID 105472824) is 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine is CC(C)(C)c1noc2cc(CCN)ccc12.
What is the InChIKey of 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine?
The InChIKey is XEYXFUXIAQMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)12-10-5-4-9(6-7-14)8-11(10)16-15-12/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine?
2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine is sourced from PubChem (CID 105472824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).