2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine

C13H18N2O — CID 43470450

IUPAC2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCc1ccc2nc(C(N)C(C)(C)C)oc2c1
InChIInChI=1S/C13H18N2O/c1-8-5-6-9-10(7-8)16-12(15-9)11(14)13(2,3)4/h5-7,11H,14H2,1-4H3
InChIKeyIJJGNPMNSFYZTO-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.18
Rot. Bonds1

About 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine

2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine (PubChem CID 43470450) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
PubChem CID43470450
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCc1ccc2nc(C(N)C(C)(C)C)oc2c1
InChIInChI=1S/C13H18N2O/c1-8-5-6-9-10(7-8)16-12(15-9)11(14)13(2,3)4/h5-7,11H,14H2,1-4H3
InChIKeyIJJGNPMNSFYZTO-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
1-N-(6-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832907
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 79269519
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
1-cyclopropyl-1-(6-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 64668295
1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenylethanamine
CID 62487138

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine (CID 43470450) is 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine is Cc1ccc2nc(C(N)C(C)(C)C)oc2c1.
What is the InChIKey of 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
The InChIKey is IJJGNPMNSFYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-6-9-10(7-8)16-12(15-9)11(14)13(2,3)4/h5-7,11H,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine?
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine is sourced from PubChem (CID 43470450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).