2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine

C14H22FNO2 — CID 106665020

IUPAC2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
SMILESCOC(C)(C)CCOC(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2/c1-14(2,17-3)7-8-18-13(10-16)11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyHCRCHEJEFMDTDI-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.66
Rot. Bonds7

About 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine

2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine (PubChem CID 106665020) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
PubChem CID106665020
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
SMILESCOC(C)(C)CCOC(CN)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2/c1-14(2,17-3)7-8-18-13(10-16)11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyHCRCHEJEFMDTDI-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031125
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934471
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
CID 103036910
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 105452091
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine (CID 106665020) is 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine is COC(C)(C)CCOC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine?
The InChIKey is HCRCHEJEFMDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,17-3)7-8-18-13(10-16)11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine?
2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine is sourced from PubChem (CID 106665020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).