2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine

C15H24FNO2 — CID 106667015

IUPAC2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
SMILESCNCC(OCCC(C)(C)OC)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,18-4)9-10-19-14(11-17-3)12-7-5-6-8-13(12)16/h5-8,14,17H,9-11H2,1-4H3
InChIKeyZRHVOXLRMMUROG-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.92
Rot. Bonds8

About 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine

2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine (PubChem CID 106667015) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
PubChem CID106667015
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
SMILESCNCC(OCCC(C)(C)OC)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,18-4)9-10-19-14(11-17-3)12-7-5-6-8-13(12)16/h5-8,14,17H,9-11H2,1-4H3
InChIKeyZRHVOXLRMMUROG-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
CID 106667108
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 82831669
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 65124389

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine (CID 106667015) is 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine is CNCC(OCCC(C)(C)OC)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine?
The InChIKey is ZRHVOXLRMMUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,18-4)9-10-19-14(11-17-3)12-7-5-6-8-13(12)16/h5-8,14,17H,9-11H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine?
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine has a molecular weight of 269.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine is sourced from PubChem (CID 106667015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).