3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine

C17H28FNO2 — CID 116725535

IUPAC3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cccc(OC)c1F)NC)C(C)(C)C
InChIInChI=1S/C17H28FNO2/c1-7-21-16(17(2,3)4)13(19-5)11-12-9-8-10-14(20-6)15(12)18/h8-10,13,16,19H,7,11H2,1-6H3
InChIKeyRAIFPJNOUMIQBZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.42
Rot. Bonds7

About 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine

3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine (PubChem CID 116725535) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
PubChem CID116725535
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cccc(OC)c1F)NC)C(C)(C)C
InChIInChI=1S/C17H28FNO2/c1-7-21-16(17(2,3)4)13(19-5)11-12-9-8-10-14(20-6)15(12)18/h8-10,13,16,19H,7,11H2,1-6H3
InChIKeyRAIFPJNOUMIQBZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513
[1-(2-fluoro-3-methoxyphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273616
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine (CID 116725535) is 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine is CCOC(C(Cc1cccc(OC)c1F)NC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is RAIFPJNOUMIQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-7-21-16(17(2,3)4)13(19-5)11-12-9-8-10-14(20-6)15(12)18/h8-10,13,16,19H,7,11H2,1-6H3.
What are the key properties of 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine?
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).