2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine

C18H30N2O — CID 82142986

IUPAC2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC(C)C1CN(C(C)CN)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C18H30N2O/c1-12(2)17-11-20(13(3)10-19)15-9-14(18(4,5)6)7-8-16(15)21-17/h7-9,12-13,17H,10-11,19H2,1-6H3
InChIKeyFEOMRYMGMDWBHH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.55
Rot. Bonds3

About 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine

2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 82142986) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID82142986
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC(C)C1CN(C(C)CN)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C18H30N2O/c1-12(2)17-11-20(13(3)10-19)15-9-14(18(4,5)6)7-8-16(15)21-17/h7-9,12-13,17H,10-11,19H2,1-6H3
InChIKeyFEOMRYMGMDWBHH-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (CID 82142986) is 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is CC(C)C1CN(C(C)CN)c2cc(C(C)(C)C)ccc2O1.
What is the InChIKey of 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is FEOMRYMGMDWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(2)17-11-20(13(3)10-19)15-9-14(18(4,5)6)7-8-16(15)21-17/h7-9,12-13,17H,10-11,19H2,1-6H3.
What are the key properties of 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 82142986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).