N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine

C15H20FNO2 — CID 107689325

IUPACN-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
SMILESCC#CCCOc1ccc(CNCCOC)cc1F
InChIInChI=1S/C15H20FNO2/c1-3-4-5-9-19-15-7-6-13(11-14(15)16)12-17-8-10-18-2/h6-7,11,17H,5,8-10,12H2,1-2H3
InChIKeyKNXKSFKGCDCPHX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.35
Rot. Bonds8

About N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine

N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 107689325) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID107689325
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
SMILESCC#CCCOc1ccc(CNCCOC)cc1F
InChIInChI=1S/C15H20FNO2/c1-3-4-5-9-19-15-7-6-13(11-14(15)16)12-17-8-10-18-2/h6-7,11,17H,5,8-10,12H2,1-2H3
InChIKeyKNXKSFKGCDCPHX-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[(3-methoxy-4-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804498
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689146
N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
N-[[4-but-3-ynoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320118
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
2-methoxy-N-[(6-pent-3-ynoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 104805099
N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 107689221

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine (CID 107689325) is N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine is CC#CCCOc1ccc(CNCCOC)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is KNXKSFKGCDCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-4-5-9-19-15-7-6-13(11-14(15)16)12-17-8-10-18-2/h6-7,11,17H,5,8-10,12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 265.33 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 107689325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).