1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine

C13H20FNO2 — CID 105174719

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-9(2)17-8-11(15-3)10-6-5-7-12(16-4)13(10)14/h5-7,9,11,15H,8H2,1-4H3
InChIKeySRIPJJZQKSLASO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105174719) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105174719
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-9(2)17-8-11(15-3)10-6-5-7-12(16-4)13(10)14/h5-7,9,11,15H,8H2,1-4H3
InChIKeySRIPJJZQKSLASO-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 82808005
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 82792566
[1-(2-fluoro-3-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105323816
[1-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105330779
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 105174719) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is SRIPJJZQKSLASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)17-8-11(15-3)10-6-5-7-12(16-4)13(10)14/h5-7,9,11,15H,8H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105174719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).