2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine

C16H26N2O2 — CID 82143110

IUPAC2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
SMILESCc1ccc2c(c1)OC(C(C)C)CN2CCOCCN
InChIInChI=1S/C16H26N2O2/c1-12(2)16-11-18(7-9-19-8-6-17)14-5-4-13(3)10-15(14)20-16/h4-5,10,12,16H,6-9,11,17H2,1-3H3
InChIKeyIJEHHJWWWMFFIT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine

2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine (PubChem CID 82143110) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
PubChem CID82143110
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
SMILESCc1ccc2c(c1)OC(C(C)C)CN2CCOCCN
InChIInChI=1S/C16H26N2O2/c1-12(2)16-11-18(7-9-19-8-6-17)14-5-4-13(3)10-15(14)20-16/h4-5,10,12,16H,6-9,11,17H2,1-3H3
InChIKeyIJEHHJWWWMFFIT-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
CID 82143067
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339198
3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
CID 82340510
3-(7-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)propanoic acid
CID 82142835
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
2-[3-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-methoxypropyl]-4-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazin-7-amine
CID 134533903
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
1-[7-(aminomethyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylbutan-1-one
CID 82339390
2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345869
4-(3-methylbutyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345878
7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 585332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine (CID 82143110) is 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine is Cc1ccc2c(c1)OC(C(C)C)CN2CCOCCN.
What is the InChIKey of 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The InChIKey is IJEHHJWWWMFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)16-11-18(7-9-19-8-6-17)14-5-4-13(3)10-15(14)20-16/h4-5,10,12,16H,6-9,11,17H2,1-3H3.
What are the key properties of 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine is sourced from PubChem (CID 82143110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).