N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine

C15H21FN2O2 — CID 166556473

IUPACN-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc2nc(C(C)C)oc2c(C)c1F
InChIInChI=1S/C15H21FN2O2/c1-9(2)15-18-12-7-11(8-17-5-6-19-4)13(16)10(3)14(12)20-15/h7,9,17H,5-6,8H2,1-4H3
InChIKeyZCLCNZUYHFBBNK-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.13
Rot. Bonds6

About N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine

N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 166556473) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID166556473
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc2nc(C(C)C)oc2c(C)c1F
InChIInChI=1S/C15H21FN2O2/c1-9(2)15-18-12-7-11(8-17-5-6-19-4)13(16)10(3)14(12)20-15/h7,9,17H,5-6,8H2,1-4H3
InChIKeyZCLCNZUYHFBBNK-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.13
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

N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
CID 82452119
(2R)-2-methoxy-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-1-amine
CID 176752769
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
N-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757605
N-[[4-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926816
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 82720961
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 66442658
5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine (CID 166556473) is N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine is COCCNCc1cc2nc(C(C)C)oc2c(C)c1F.
What is the InChIKey of N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is ZCLCNZUYHFBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-9(2)15-18-12-7-11(8-17-5-6-19-4)13(16)10(3)14(12)20-15/h7,9,17H,5-6,8H2,1-4H3.
What are the key properties of N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine?
N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 280.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 166556473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).