1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane

C12H18N2O — CID 142930322

IUPAC1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
SMILESCC.CC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O.C2H6/c1-7(11)6-10-12-8-4-2-3-5-9(8)13-10;1-2/h2-5,7H,6,11H2,1H3;1-2H3
InChIKeySEARIENCANRYSO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.74
Rot. Bonds2

About 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane

1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane (PubChem CID 142930322) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
PubChem CID142930322
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
SMILESCC.CC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O.C2H6/c1-7(11)6-10-12-8-4-2-3-5-9(8)13-10;1-2/h2-5,7H,6,11H2,1H3;1-2H3
InChIKeySEARIENCANRYSO-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
CID 43118542
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
1-(1,3-benzoxazol-2-ylmethylsulfanyl)propan-2-amine
CID 66217967
1-(1,3-benzoxazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 104520108
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
2-(2-bromo-3,4-dimethylpentyl)-1,3-benzoxazole
CID 66460230
2-ethyl-1,3-benzoxazole
CID 23239
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43118536
2-(2-bromo-4,4-dimethylpentyl)-1,3-benzoxazole
CID 66461437
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
CID 142549567
2-(1,3-benzoxazol-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107980650

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane (CID 142930322) is 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane is CC.CC(N)Cc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane?
The InChIKey is SEARIENCANRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-7(11)6-10-12-8-4-2-3-5-9(8)13-10;1-2/h2-5,7H,6,11H2,1H3;1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane?
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane has a molecular weight of 206.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane is sourced from PubChem (CID 142930322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).