2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline

C13H19FN2O — CID 55159271

IUPAC2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
SMILESNc1ccc(CNCCC2CCCO2)cc1F
InChIInChI=1S/C13H19FN2O/c14-12-8-10(3-4-13(12)15)9-16-6-5-11-2-1-7-17-11/h3-4,8,11,16H,1-2,5-7,9,15H2
InChIKeyKFYRHEIEQYLGLK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds5

About 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline

2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline (PubChem CID 55159271) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
PubChem CID55159271
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
SMILESNc1ccc(CNCCC2CCCO2)cc1F
InChIInChI=1S/C13H19FN2O/c14-12-8-10(3-4-13(12)15)9-16-6-5-11-2-1-7-17-11/h3-4,8,11,16H,1-2,5-7,9,15H2
InChIKeyKFYRHEIEQYLGLK-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362843
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
N-(isoquinolin-6-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 107038110
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103992849
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline?
The IUPAC name of 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline (CID 55159271) is 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline?
The canonical SMILES for 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline is Nc1ccc(CNCCC2CCCO2)cc1F.
What is the InChIKey of 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline?
The InChIKey is KFYRHEIEQYLGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-8-10(3-4-13(12)15)9-16-6-5-11-2-1-7-17-11/h3-4,8,11,16H,1-2,5-7,9,15H2.
What are the key properties of 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline?
2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline has a molecular weight of 238.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 55159271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).