2-(2-ethylhexoxymethyl)-3-fluoroaniline

C15H24FNO — CID 63331598

IUPAC2-(2-ethylhexoxymethyl)-3-fluoroaniline
SMILESCCCCC(CC)COCc1c(N)cccc1F
InChIInChI=1S/C15H24FNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3
InChIKeyGEAUCFCQGLFDMH-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.14
Rot. Bonds8

About 2-(2-ethylhexoxymethyl)-3-fluoroaniline

2-(2-ethylhexoxymethyl)-3-fluoroaniline (PubChem CID 63331598) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-3-fluoroaniline
PubChem CID63331598
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(2-ethylhexoxymethyl)-3-fluoroaniline
SMILESCCCCC(CC)COCc1c(N)cccc1F
InChIInChI=1S/C15H24FNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3
InChIKeyGEAUCFCQGLFDMH-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-ethylhexoxymethyl)aniline
CID 63747486
1-bromo-3-(2-ethylhexoxymethyl)-2,4-difluorobenzene
CID 114166530
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
1-[(2,6-difluorophenyl)methoxy]butan-2-amine
CID 102548785
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-fluoro-2-(phenylmethoxymethyl)aniline
CID 63331645
2-(3,3-dimethylbutoxymethyl)-3-fluoroaniline
CID 66232681
4-(2-ethylhexoxymethyl)-3-fluorobenzonitrile
CID 43128128
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-3-fluoroaniline?
The IUPAC name of 2-(2-ethylhexoxymethyl)-3-fluoroaniline (CID 63331598) is 2-(2-ethylhexoxymethyl)-3-fluoroaniline.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-3-fluoroaniline?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-3-fluoroaniline is CCCCC(CC)COCc1c(N)cccc1F.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-3-fluoroaniline?
The InChIKey is GEAUCFCQGLFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxymethyl)-3-fluoroaniline?
2-(2-ethylhexoxymethyl)-3-fluoroaniline has a molecular weight of 253.36 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-3-fluoroaniline is sourced from PubChem (CID 63331598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).