N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

C16H26FNO3 — CID 115715357

IUPACN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO3/c1-13(15-7-6-14(20-3)12-16(15)17)18-8-4-5-9-21-11-10-19-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyYLENKGWWVDWAGV-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.93
Rot. Bonds11

About N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 115715357) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
PubChem CID115715357
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO3/c1-13(15-7-6-14(20-3)12-16(15)17)18-8-4-5-9-21-11-10-19-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyYLENKGWWVDWAGV-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.93
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-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115879210
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (CID 115715357) is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is COCCOCCCCNC(C)c1ccc(OC)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is YLENKGWWVDWAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-13(15-7-6-14(20-3)12-16(15)17)18-8-4-5-9-21-11-10-19-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 115715357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).