5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine

C17H26FNO — CID 134591324

IUPAC5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine
SMILESCc1ccc(CCCCC(N)C2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-13-6-7-14(16(18)12-13)4-2-3-5-17(19)15-8-10-20-11-9-15/h6-7,12,15,17H,2-5,8-11,19H2,1H3
InChIKeyJUNBCSZKKDPUFK-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds6

About 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine

5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine (PubChem CID 134591324) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine
PubChem CID134591324
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine
SMILESCc1ccc(CCCCC(N)C2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-13-6-7-14(16(18)12-13)4-2-3-5-17(19)15-8-10-20-11-9-15/h6-7,12,15,17H,2-5,8-11,19H2,1H3
InChIKeyJUNBCSZKKDPUFK-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
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 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine (CID 134591324) is 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine is Cc1ccc(CCCCC(N)C2CCOCC2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine?
The InChIKey is JUNBCSZKKDPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13-6-7-14(16(18)12-13)4-2-3-5-17(19)15-8-10-20-11-9-15/h6-7,12,15,17H,2-5,8-11,19H2,1H3.
What are the key properties of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine?
5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 134591324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).