2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine

C13H20FNO — CID 62107675

IUPAC2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCC(C)OC(CNC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-10(2)16-13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyZIBKNWANGGCOGE-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds6

About 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine

2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 62107675) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID62107675
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCC(C)OC(CNC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-10(2)16-13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyZIBKNWANGGCOGE-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
2-cyclobutyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62383123
3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 22708359
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]-N-methylethanamine
CID 63933012
2-cycloheptyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62109055
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
CID 55020696

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine (CID 62107675) is 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine is CCC(C)OC(CNC)c1cccc(F)c1.
What is the InChIKey of 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is ZIBKNWANGGCOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-10(2)16-13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine?
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 62107675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).