2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C13H20FNO — CID 62107488

IUPAC2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNCC(OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-13(2,3)16-12(9-15-4)10-7-5-6-8-11(10)14/h5-8,12,15H,9H2,1-4H3
InChIKeyVMZFVQVHSBOTCN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 62107488) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID62107488
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNCC(OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-13(2,3)16-12(9-15-4)10-7-5-6-8-11(10)14/h5-8,12,15H,9H2,1-4H3
InChIKeyVMZFVQVHSBOTCN-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015
2-(2-fluorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107035
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 82831669
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81016538
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 65124389
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
2-(2-fluorophenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116824647
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 62107488) is 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CNCC(OC(C)(C)C)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is VMZFVQVHSBOTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)16-12(9-15-4)10-7-5-6-8-11(10)14/h5-8,12,15H,9H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 62107488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).