[4-fluoro-2-(propoxymethyl)phenyl]methanamine

C11H16FNO — CID 64764840

IUPAC[4-fluoro-2-(propoxymethyl)phenyl]methanamine
SMILESCCCOCc1cc(F)ccc1CN
InChIInChI=1S/C11H16FNO/c1-2-5-14-8-10-6-11(12)4-3-9(10)7-13/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyXVOAWAKIDJVJQA-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.21
Rot. Bonds5

About [4-fluoro-2-(propoxymethyl)phenyl]methanamine

[4-fluoro-2-(propoxymethyl)phenyl]methanamine (PubChem CID 64764840) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [4-fluoro-2-(propoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(propoxymethyl)phenyl]methanamine
PubChem CID64764840
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[4-fluoro-2-(propoxymethyl)phenyl]methanamine
SMILESCCCOCc1cc(F)ccc1CN
InChIInChI=1S/C11H16FNO/c1-2-5-14-8-10-6-11(12)4-3-9(10)7-13/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyXVOAWAKIDJVJQA-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(propoxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(propoxymethyl)phenyl]methanamine (CID 64764840) is [4-fluoro-2-(propoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(propoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(propoxymethyl)phenyl]methanamine is CCCOCc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-(propoxymethyl)phenyl]methanamine?
The InChIKey is XVOAWAKIDJVJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-5-14-8-10-6-11(12)4-3-9(10)7-13/h3-4,6H,2,5,7-8,13H2,1H3.
What are the key properties of [4-fluoro-2-(propoxymethyl)phenyl]methanamine?
[4-fluoro-2-(propoxymethyl)phenyl]methanamine has a molecular weight of 197.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(propoxymethyl)phenyl]methanamine is sourced from PubChem (CID 64764840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).