4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

C11H18N2O2 — CID 112716488

IUPAC4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESCc1noc2c1C(O)(CCN)C(C)CC2
InChIInChI=1S/C11H18N2O2/c1-7-3-4-9-10(8(2)13-15-9)11(7,14)5-6-12/h7,14H,3-6,12H2,1-2H3
InChIKeySJECCAVSLRGZSA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds2

About 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (PubChem CID 112716488) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
PubChem CID112716488
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESCc1noc2c1C(O)(CCN)C(C)CC2
InChIInChI=1S/C11H18N2O2/c1-7-3-4-9-10(8(2)13-15-9)11(7,14)5-6-12/h7,14H,3-6,12H2,1-2H3
InChIKeySJECCAVSLRGZSA-UHFFFAOYSA-N
XLogP1.10
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydroindoxazen-4,6-diol, 3-undecyl-
CID 593045
trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol
CID 5325759
cis-(2R,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol
CID 13789996
6-(2-aminoethyl)-3-cyclopentyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 82383343
2-(3-Ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-6-yl)ethanamine
CID 82400911
6-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 82401265
2-(3-Ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 83861858
2-(3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 83861880
2-(3-Cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 83861887
2-(3-Propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 83861894
(3-Propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
CID 83861897
2-(3,6,6-trimethyl-5,7-dihydro-4H-1,2-benzoxazol-4-yl)ethanamine
CID 83862070

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (CID 112716488) is 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is Cc1noc2c1C(O)(CCN)C(C)CC2.
What is the InChIKey of 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The InChIKey is SJECCAVSLRGZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-3-4-9-10(8(2)13-15-9)11(7,14)5-6-12/h7,14H,3-6,12H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol has a molecular weight of 210.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is sourced from PubChem (CID 112716488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).