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

C9H14N2O — CID 83873526

IUPAC2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine
SMILESNCCC1CCCc2cnoc21
InChIInChI=1S/C9H14N2O/c10-5-4-7-2-1-3-8-6-11-12-9(7)8/h6-7H,1-5,10H2
InChIKeyMSPDUEBONNRVCT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds2

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

2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine (PubChem CID 83873526) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine
PubChem CID83873526
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine
SMILESNCCC1CCCc2cnoc21
InChIInChI=1S/C9H14N2O/c10-5-4-7-2-1-3-8-6-11-12-9(7)8/h6-7H,1-5,10H2
InChIKeyMSPDUEBONNRVCT-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-6-amine
CID 82418900
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)ethanamine
CID 83872534
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
8-(2-aminoethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83878214
4-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
CID 83880356
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 84781691
2-(5-cyclopropyl-1,2-oxazol-4-yl)ethanamine
CID 83826375
(5-cyclobutyl-1,2-oxazol-4-yl)methanamine
CID 105429702
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861633
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine (CID 83873526) is 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine is NCCC1CCCc2cnoc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine?
The InChIKey is MSPDUEBONNRVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-4-7-2-1-3-8-6-11-12-9(7)8/h6-7H,1-5,10H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine?
2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine has a molecular weight of 166.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine is sourced from PubChem (CID 83873526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).