4-fluoro-2-(oxolan-2-ylmethyl)aniline

C11H14FNO — CID 105449109

IUPAC4-fluoro-2-(oxolan-2-ylmethyl)aniline
SMILESNc1ccc(F)cc1CC1CCCO1
InChIInChI=1S/C11H14FNO/c12-9-3-4-11(13)8(6-9)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7,13H2
InChIKeyXXNSPUHGGULIIE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.13
Rot. Bonds2

About 4-fluoro-2-(oxolan-2-ylmethyl)aniline

4-fluoro-2-(oxolan-2-ylmethyl)aniline (PubChem CID 105449109) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-fluoro-2-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(oxolan-2-ylmethyl)aniline
PubChem CID105449109
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-fluoro-2-(oxolan-2-ylmethyl)aniline
SMILESNc1ccc(F)cc1CC1CCCO1
InChIInChI=1S/C11H14FNO/c12-9-3-4-11(13)8(6-9)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7,13H2
InChIKeyXXNSPUHGGULIIE-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.13
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

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
5-fluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43100122
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
5-fluoro-2-[2-(oxolan-2-yl)ethylsulfonyl]aniline
CID 81185902
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
2-fluoro-6-(oxan-2-ylmethyl)aniline
CID 105463137
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-(oxolan-2-ylmethyl)aniline (CID 105449109) is 4-fluoro-2-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-(oxolan-2-ylmethyl)aniline is Nc1ccc(F)cc1CC1CCCO1.
What is the InChIKey of 4-fluoro-2-(oxolan-2-ylmethyl)aniline?
The InChIKey is XXNSPUHGGULIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-4-11(13)8(6-9)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7,13H2.
What are the key properties of 4-fluoro-2-(oxolan-2-ylmethyl)aniline?
4-fluoro-2-(oxolan-2-ylmethyl)aniline has a molecular weight of 195.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 105449109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).