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

C14H22FNO — CID 63289474

IUPAC[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
SMILESCCCCCCOCc1ccc(F)cc1CN
InChIInChI=1S/C14H22FNO/c1-2-3-4-5-8-17-11-12-6-7-14(15)9-13(12)10-16/h6-7,9H,2-5,8,10-11,16H2,1H3
InChIKeyPXKKPOPVHBFQFD-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.38
Rot. Bonds8

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

[5-fluoro-2-(hexoxymethyl)phenyl]methanamine (PubChem CID 63289474) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is [5-fluoro-2-(hexoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
PubChem CID63289474
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
SMILESCCCCCCOCc1ccc(F)cc1CN
InChIInChI=1S/C14H22FNO/c1-2-3-4-5-8-17-11-12-6-7-14(15)9-13(12)10-16/h6-7,9H,2-5,8,10-11,16H2,1H3
InChIKeyPXKKPOPVHBFQFD-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.38
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

4-fluoro-2-(octoxymethyl)aniline
CID 43382254
5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
4-bromo-2-fluoro-1-(heptoxymethyl)benzene
CID 63457543
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
[3-bromo-4-(pentoxymethyl)phenyl]methanamine
CID 102772646
[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
CID 102980854

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(hexoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(hexoxymethyl)phenyl]methanamine (CID 63289474) is [5-fluoro-2-(hexoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(hexoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(hexoxymethyl)phenyl]methanamine is CCCCCCOCc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-(hexoxymethyl)phenyl]methanamine?
The InChIKey is PXKKPOPVHBFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-2-3-4-5-8-17-11-12-6-7-14(15)9-13(12)10-16/h6-7,9H,2-5,8,10-11,16H2,1H3.
What are the key properties of [5-fluoro-2-(hexoxymethyl)phenyl]methanamine?
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine has a molecular weight of 239.33 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(hexoxymethyl)phenyl]methanamine is sourced from PubChem (CID 63289474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).