N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine

C14H22FNO2 — CID 112610843

IUPACN-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCCC(C)Oc1c(F)cccc1CNCCOC
InChIInChI=1S/C14H22FNO2/c1-4-11(2)18-14-12(6-5-7-13(14)15)10-16-8-9-17-3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyVMIPJXPEZXCBMJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.74
Rot. Bonds8

About N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine

N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 112610843) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
PubChem CID112610843
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCCC(C)Oc1c(F)cccc1CNCCOC
InChIInChI=1S/C14H22FNO2/c1-4-11(2)18-14-12(6-5-7-13(14)15)10-16-8-9-17-3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyVMIPJXPEZXCBMJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107891116
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(5-bromo-2-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 63057016
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
N-[[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63060490

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine (CID 112610843) is N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine is CCC(C)Oc1c(F)cccc1CNCCOC.
What is the InChIKey of N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is VMIPJXPEZXCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-11(2)18-14-12(6-5-7-13(14)15)10-16-8-9-17-3/h5-7,11,16H,4,8-10H2,1-3H3.
What are the key properties of N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine?
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 112610843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).