5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine

C24H33F2NO2 — CID 143286054

IUPAC5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
SMILESCOc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1OC
InChIInChI=1S/C24H33F2NO2/c1-28-23-13-11-21(25)17-19(23)9-5-3-7-15-27-16-8-4-6-10-20-18-22(26)12-14-24(20)29-2/h11-14,17-18,27H,3-10,15-16H2,1-2H3
InChIKeyQEYMYBMCWIRSQR-UHFFFAOYSA-N
MW405.53 g/mol
LogP5.70
Rot. Bonds14

About 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine

5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine (PubChem CID 143286054) has the molecular formula C24H33F2NO2 and a molecular weight of 405.53 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
PubChem CID143286054
Molecular FormulaC24H33F2NO2
Molecular Weight405.53 g/mol
Exact Mass405.25
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
SMILESCOc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1OC
InChIInChI=1S/C24H33F2NO2/c1-28-23-13-11-21(25)17-19(23)9-5-3-7-15-27-16-8-4-6-10-20-18-22(26)12-14-24(20)29-2/h11-14,17-18,27H,3-10,15-16H2,1-2H3
InChIKeyQEYMYBMCWIRSQR-UHFFFAOYSA-N
XLogP5.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
CID 167008995
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine (CID 143286054) is 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine is COc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1OC.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine?
The InChIKey is QEYMYBMCWIRSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2NO2/c1-28-23-13-11-21(25)17-19(23)9-5-3-7-15-27-16-8-4-6-10-20-18-22(26)12-14-24(20)29-2/h11-14,17-18,27H,3-10,15-16H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine?
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine has a molecular weight of 405.53 g/mol, XLogP of 5.70, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine is sourced from PubChem (CID 143286054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).