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

C12H18N2O — CID 83861887

IUPAC2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESNCCC1CCCc2onc(C3CC3)c21
InChIInChI=1S/C12H18N2O/c13-7-6-8-2-1-3-10-11(8)12(14-15-10)9-4-5-9/h8-9H,1-7,13H2
InChIKeyYKBWPYNSDDWXLQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.32
Rot. Bonds3

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

2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (PubChem CID 83861887) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
PubChem CID83861887
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
SMILESNCCC1CCCc2onc(C3CC3)c21
InChIInChI=1S/C12H18N2O/c13-7-6-8-2-1-3-10-11(8)12(14-15-10)9-4-5-9/h8-9H,1-7,13H2
InChIKeyYKBWPYNSDDWXLQ-UHFFFAOYSA-N
XLogP2.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.32
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-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
CID 80461767
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
4-(Hydroxyimino)-3,6,6-trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazole
CID 6111792
3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole
CID 164668154
[5-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 80461907
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine
CID 83861870
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ethanamine
CID 83861871
N-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]methanamine
CID 83861872
[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]methanamine
CID 83861873

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine (CID 83861887) is 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is NCCC1CCCc2onc(C3CC3)c21.
What is the InChIKey of 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
The InChIKey is YKBWPYNSDDWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-7-6-8-2-1-3-10-11(8)12(14-15-10)9-4-5-9/h8-9H,1-7,13H2.
What are the key properties of 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine?
2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 83861887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).