[2-fluoro-5-(heptoxymethyl)phenyl]methanamine

C15H24FNO — CID 107878945

IUPAC[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
SMILESCCCCCCCOCc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-9-18-12-13-7-8-15(16)14(10-13)11-17/h7-8,10H,2-6,9,11-12,17H2,1H3
InChIKeyOXYSGOKLBADRRH-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.77
Rot. Bonds9

About [2-fluoro-5-(heptoxymethyl)phenyl]methanamine

[2-fluoro-5-(heptoxymethyl)phenyl]methanamine (PubChem CID 107878945) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is [2-fluoro-5-(heptoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
PubChem CID107878945
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
SMILESCCCCCCCOCc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-9-18-12-13-7-8-15(16)14(10-13)11-17/h7-8,10H,2-6,9,11-12,17H2,1H3
InChIKeyOXYSGOKLBADRRH-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
2-fluoro-5-(heptoxymethyl)benzoic acid
CID 114012263
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
CID 107878875
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
CID 28996219
4-fluoro-3-(octoxymethyl)benzonitrile
CID 43128149
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
methyl 2-fluoro-4-(heptoxymethyl)benzoate
CID 106698328
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(heptoxymethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(heptoxymethyl)phenyl]methanamine (CID 107878945) is [2-fluoro-5-(heptoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(heptoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(heptoxymethyl)phenyl]methanamine is CCCCCCCOCc1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-(heptoxymethyl)phenyl]methanamine?
The InChIKey is OXYSGOKLBADRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-3-4-5-6-9-18-12-13-7-8-15(16)14(10-13)11-17/h7-8,10H,2-6,9,11-12,17H2,1H3.
What are the key properties of [2-fluoro-5-(heptoxymethyl)phenyl]methanamine?
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine has a molecular weight of 253.36 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(heptoxymethyl)phenyl]methanamine is sourced from PubChem (CID 107878945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).