2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline

C13H18FNO — CID 115921631

IUPAC2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(Nc1ccccc1F)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-10(11-6-8-16-9-7-11)15-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyZXTSTPXOXOQNKW-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.05
Rot. Bonds3

About 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline

2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline (PubChem CID 115921631) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
PubChem CID115921631
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(Nc1ccccc1F)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-10(11-6-8-16-9-7-11)15-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyZXTSTPXOXOQNKW-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
CID 115916403
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095
2-fluoro-4-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679738
2-fluoro-4-nitro-N-[1-(oxan-4-yl)ethyl]aniline
CID 103768416
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
4-chloro-5-fluoro-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 114115081
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline (CID 115921631) is 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline is CC(Nc1ccccc1F)C1CCOCC1.
What is the InChIKey of 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline?
The InChIKey is ZXTSTPXOXOQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(11-6-8-16-9-7-11)15-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline?
2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline has a molecular weight of 223.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline is sourced from PubChem (CID 115921631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).