2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine

C11H18N2O — CID 83861858

IUPAC2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESCCc1noc2c1C(CCN)CCC2
InChIInChI=1S/C11H18N2O/c1-2-9-11-8(6-7-12)4-3-5-10(11)14-13-9/h8H,2-7,12H2,1H3
InChIKeyVSMXJGHIMOMTNN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine

2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (PubChem CID 83861858) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
PubChem CID83861858
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESCCc1noc2c1C(CCN)CCC2
InChIInChI=1S/C11H18N2O/c1-2-9-11-8(6-7-12)4-3-5-10(11)14-13-9/h8H,2-7,12H2,1H3
InChIKeyVSMXJGHIMOMTNN-UHFFFAOYSA-N
XLogP2.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
N-Methyl-1-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-YL)methanamine hydrochloride
CID 45382085
3-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 16394817
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
N-Methyl-1-(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanamine
CID 23006278
3-(3,5-Dimethyl-1,2-oxazol-4-yl)propan-1-amine hydrochloride
CID 45926171
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
CID 80461767
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine hydrochloride
CID 145867140
N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 2728884
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 5407245
[(Z)-(3,6,6-trimethyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)amino] acetate
CID 5407253

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (CID 83861858) is 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is CCc1noc2c1C(CCN)CCC2.
What is the InChIKey of 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The InChIKey is VSMXJGHIMOMTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-9-11-8(6-7-12)4-3-5-10(11)14-13-9/h8H,2-7,12H2,1H3.
What are the key properties of 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 83861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).