1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C13H20FNO — CID 105092686

IUPAC1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,3)16-9-12(15-4)10-6-5-7-11(14)8-10/h5-8,12,15H,9H2,1-4H3
InChIKeyMLEWBCJIKZYXMA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105092686) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105092686
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,3)16-9-12(15-4)10-6-5-7-11(14)8-10/h5-8,12,15H,9H2,1-4H3
InChIKeyMLEWBCJIKZYXMA-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

1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475476
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105092929

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105092686) is 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CNC(COC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is MLEWBCJIKZYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)16-9-12(15-4)10-6-5-7-11(14)8-10/h5-8,12,15H,9H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3-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 1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105092686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).