2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine

C16H26FNO3 — CID 79436793

IUPAC2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCC(CCOCCOC)c1ccccc1F
InChIInChI=1S/C16H26FNO3/c1-19-10-8-18-13-14(7-9-21-12-11-20-2)15-5-3-4-6-16(15)17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyGVLUDXVDKABZEW-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.20
Rot. Bonds12

About 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine

2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79436793) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID79436793
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCC(CCOCCOC)c1ccccc1F
InChIInChI=1S/C16H26FNO3/c1-19-10-8-18-13-14(7-9-21-12-11-20-2)15-5-3-4-6-16(15)17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyGVLUDXVDKABZEW-UHFFFAOYSA-N
XLogP2.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 79436792
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine (CID 79436793) is 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine is COCCNCC(CCOCCOC)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is GVLUDXVDKABZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-19-10-8-18-13-14(7-9-21-12-11-20-2)15-5-3-4-6-16(15)17/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine?
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 2.20, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79436793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).