N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine

C16H26FNO2 — CID 62108236

IUPACN-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-16(2,3)18-12-15(20-11-7-10-19-4)13-8-5-6-9-14(13)17/h5-6,8-9,15,18H,7,10-12H2,1-4H3
InChIKeyJEXQEVAQIWNOCA-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62108236) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62108236
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-16(2,3)18-12-15(20-11-7-10-19-4)13-8-5-6-9-14(13)17/h5-6,8-9,15,18H,7,10-12H2,1-4H3
InChIKeyJEXQEVAQIWNOCA-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.31
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

N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine (CID 62108236) is N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine is COCCCOC(CNC(C)(C)C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is JEXQEVAQIWNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-16(2,3)18-12-15(20-11-7-10-19-4)13-8-5-6-9-14(13)17/h5-6,8-9,15,18H,7,10-12H2,1-4H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).