N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

C16H26FNO2 — CID 103412592

IUPACN-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO2/c1-3-18-13-15(5-4-10-20-12-11-19-2)14-6-8-16(17)9-7-14/h6-9,15,18H,3-5,10-13H2,1-2H3
InChIKeySSAGONNGLIUNAK-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.96
Rot. Bonds11

About N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (PubChem CID 103412592) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
PubChem CID103412592
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO2/c1-3-18-13-15(5-4-10-20-12-11-19-2)14-6-8-16(17)9-7-14/h6-9,15,18H,3-5,10-13H2,1-2H3
InChIKeySSAGONNGLIUNAK-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.96
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

2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (CID 103412592) is N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is CCNCC(CCCOCCOC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The InChIKey is SSAGONNGLIUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-3-18-13-15(5-4-10-20-12-11-19-2)14-6-8-16(17)9-7-14/h6-9,15,18H,3-5,10-13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 2.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is sourced from PubChem (CID 103412592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).