2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine

C16H24N2O2 — CID 79998624

IUPAC2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine
SMILESCCCCC(CC)COCc1nc2ccc(N)cc2o1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-12(4-2)10-19-11-16-18-14-8-7-13(17)9-15(14)20-16/h7-9,12H,3-6,10-11,17H2,1-2H3
InChIKeyBJOIQYOSLRKCCK-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.14
Rot. Bonds8

About 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine

2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine (PubChem CID 79998624) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine
PubChem CID79998624
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine
SMILESCCCCC(CC)COCc1nc2ccc(N)cc2o1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-12(4-2)10-19-11-16-18-14-8-7-13(17)9-15(14)20-16/h7-9,12H,3-6,10-11,17H2,1-2H3
InChIKeyBJOIQYOSLRKCCK-UHFFFAOYSA-N
XLogP4.14
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(butoxymethyl)-1,3-benzoxazol-6-amine
CID 79999890
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995091
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine
CID 81268488
[4-(2-ethylhexoxymethyl)-2-pyridinyl]hydrazine
CID 62464671
1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
CID 58596128
[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine
CID 62457753
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
CID 43152427
2-(3-methylbutylsulfinylmethyl)-1,3-benzoxazol-6-amine
CID 107753899

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine (CID 79998624) is 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine is CCCCC(CC)COCc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine?
The InChIKey is BJOIQYOSLRKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-6-12(4-2)10-19-11-16-18-14-8-7-13(17)9-15(14)20-16/h7-9,12H,3-6,10-11,17H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine?
2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine has a molecular weight of 276.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79998624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).