2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine

C13H20FNO — CID 62528799

IUPAC2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-16-7-3-5-12(10-15)8-11-4-2-6-13(14)9-11/h2,4,6,9,12H,3,5,7-8,10,15H2,1H3
InChIKeyWDMCBTMKNXQGQA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.37
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine

2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine (PubChem CID 62528799) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine
PubChem CID62528799
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-16-7-3-5-12(10-15)8-11-4-2-6-13(14)9-11/h2,4,6,9,12H,3,5,7-8,10,15H2,1H3
InChIKeyWDMCBTMKNXQGQA-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.37
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 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine (CID 62528799) is 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine is COCCCC(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine?
The InChIKey is WDMCBTMKNXQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-16-7-3-5-12(10-15)8-11-4-2-6-13(14)9-11/h2,4,6,9,12H,3,5,7-8,10,15H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine?
2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 62528799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).