2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine

C15H22N2O — CID 115430668

IUPAC2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCc1ccc2oc(C(CC)(CC)CN)nc2c1
InChIInChI=1S/C15H22N2O/c1-4-11-7-8-13-12(9-11)17-14(18-13)15(5-2,6-3)10-16/h7-9H,4-6,10,16H2,1-3H3
InChIKeyJZDXCWSQCHIQEW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.41
Rot. Bonds5

About 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine

2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine (PubChem CID 115430668) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
PubChem CID115430668
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCc1ccc2oc(C(CC)(CC)CN)nc2c1
InChIInChI=1S/C15H22N2O/c1-4-11-7-8-13-12(9-11)17-14(18-13)15(5-2,6-3)10-16/h7-9H,4-6,10,16H2,1-3H3
InChIKeyJZDXCWSQCHIQEW-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine (CID 115430668) is 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine is CCc1ccc2oc(C(CC)(CC)CN)nc2c1.
What is the InChIKey of 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine?
The InChIKey is JZDXCWSQCHIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11-7-8-13-12(9-11)17-14(18-13)15(5-2,6-3)10-16/h7-9H,4-6,10,16H2,1-3H3.
What are the key properties of 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine?
2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine is sourced from PubChem (CID 115430668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).