N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine

C25H36FNO — CID 91080596

IUPACN-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine
SMILESCCCCCCCCOc1ccc(CN(CC)CCc2ccccc2F)cc1
InChIInChI=1S/C25H36FNO/c1-3-5-6-7-8-11-20-28-24-16-14-22(15-17-24)21-27(4-2)19-18-23-12-9-10-13-25(23)26/h9-10,12-17H,3-8,11,18-21H2,1-2H3
InChIKeyRPLSSWAUTMZDQV-UHFFFAOYSA-N
MW385.57 g/mol
LogP6.63
Rot. Bonds14

About N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine

N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine (PubChem CID 91080596) has the molecular formula C25H36FNO and a molecular weight of 385.57 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine
PubChem CID91080596
Molecular FormulaC25H36FNO
Molecular Weight385.57 g/mol
Exact Mass385.28
IUPAC NameN-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine
SMILESCCCCCCCCOc1ccc(CN(CC)CCc2ccccc2F)cc1
InChIInChI=1S/C25H36FNO/c1-3-5-6-7-8-11-20-28-24-16-14-22(15-17-24)21-27(4-2)19-18-23-12-9-10-13-25(23)26/h9-10,12-17H,3-8,11,18-21H2,1-2H3
InChIKeyRPLSSWAUTMZDQV-UHFFFAOYSA-N
XLogP6.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
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CID 6425660
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-nonoxy-4-propylbenzene
CID 118632119
1-hexoxy-4-pentylbenzene
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CID 88721659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine (CID 91080596) is N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine is CCCCCCCCOc1ccc(CN(CC)CCc2ccccc2F)cc1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine?
The InChIKey is RPLSSWAUTMZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO/c1-3-5-6-7-8-11-20-28-24-16-14-22(15-17-24)21-27(4-2)19-18-23-12-9-10-13-25(23)26/h9-10,12-17H,3-8,11,18-21H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine?
N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine has a molecular weight of 385.57 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 91080596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).