1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine

C18H22FNO — CID 82712560

IUPAC1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine
SMILESCCCCC(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13,18,20H,2-3,9,14H2,1H3
InChIKeyJRQTXODQMSDVFL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.78
Rot. Bonds8

About 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine

1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine (PubChem CID 82712560) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine
PubChem CID82712560
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine
SMILESCCCCC(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13,18,20H,2-3,9,14H2,1H3
InChIKeyJRQTXODQMSDVFL-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine (CID 82712560) is 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine is CCCCC(NOCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine?
The InChIKey is JRQTXODQMSDVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13,18,20H,2-3,9,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine?
1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-phenylmethoxypentan-1-amine is sourced from PubChem (CID 82712560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).