2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine

C16H26FNO2 — CID 104649483

IUPAC2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCCCC(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-19-10-4-3-6-15(13-18-9-11-20-2)14-7-5-8-16(17)12-14/h5,7-8,12,15,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyKCIBTBUVFKYXGH-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.96
Rot. Bonds11

About 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine

2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 104649483) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
PubChem CID104649483
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCCCC(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-19-10-4-3-6-15(13-18-9-11-20-2)14-7-5-8-16(17)12-14/h5,7-8,12,15,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyKCIBTBUVFKYXGH-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-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053423
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine (CID 104649483) is 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine is COCCCCC(CNCCOC)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is KCIBTBUVFKYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-19-10-4-3-6-15(13-18-9-11-20-2)14-7-5-8-16(17)12-14/h5,7-8,12,15,18H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-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 2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 104649483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).