2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine

C12H20N2O — CID 83862070

IUPAC2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine
SMILESCc1noc2c1C(CCN)CC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-8-11-9(4-5-13)6-12(2,3)7-10(11)15-14-8/h9H,4-7,13H2,1-3H3
InChIKeyRBJUINIWKUFQEB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.39
Rot. Bonds2

About 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine

2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine (PubChem CID 83862070) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine
PubChem CID83862070
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine
SMILESCc1noc2c1C(CCN)CC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-8-11-9(4-5-13)6-12(2,3)7-10(11)15-14-8/h9H,4-7,13H2,1-3H3
InChIKeyRBJUINIWKUFQEB-UHFFFAOYSA-N
XLogP2.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.39
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
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
CID 80461767
4,4-dimethyl-8-propyl-3a,5-dihydro-2H-pyrazolo[3,4-e][1,2]benzoxazol-3-one
CID 3116069
(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
4-(Hydroxyimino)-3,6,6-trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazole
CID 6111792
5,5,6,6,10,10-Hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene
CID 15304084
(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]
CID 16051679
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine?
The IUPAC name of 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine (CID 83862070) is 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine is Cc1noc2c1C(CCN)CC(C)(C)C2.
What is the InChIKey of 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine?
The InChIKey is RBJUINIWKUFQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-11-9(4-5-13)6-12(2,3)7-10(11)15-14-8/h9H,4-7,13H2,1-3H3.
What are the key properties of 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine?
2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine has a molecular weight of 208.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine is sourced from PubChem (CID 83862070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).