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

C16H26FNO2 — CID 103412646

IUPACN-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-3-18-13-14(7-6-10-20-12-11-19-2)15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyCSHXXLWBUXAGMN-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.96
Rot. Bonds11

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

N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (PubChem CID 103412646) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
PubChem CID103412646
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-3-18-13-14(7-6-10-20-12-11-19-2)15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyCSHXXLWBUXAGMN-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

4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (CID 103412646) is N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is CCNCC(CCCOCCOC)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The InChIKey is CSHXXLWBUXAGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-3-18-13-14(7-6-10-20-12-11-19-2)15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
N-ethyl-2-(2-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-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is sourced from PubChem (CID 103412646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).