azane;2-ethyl-3-fluoroaniline

C8H13FN2 — CID 68647628

IUPACazane;2-ethyl-3-fluoroaniline
SMILESCCc1c(N)cccc1F.N
InChIInChI=1S/C8H10FN.H3N/c1-2-6-7(9)4-3-5-8(6)10;/h3-5H,2,10H2,1H3;1H3
InChIKeyNTXMHIUWMAYYPN-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.13
Rot. Bonds1

About azane;2-ethyl-3-fluoroaniline

azane;2-ethyl-3-fluoroaniline (PubChem CID 68647628) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is azane;2-ethyl-3-fluoroaniline.

Molecular Properties

Compound Nameazane;2-ethyl-3-fluoroaniline
PubChem CID68647628
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Nameazane;2-ethyl-3-fluoroaniline
SMILESCCc1c(N)cccc1F.N
InChIInChI=1S/C8H10FN.H3N/c1-2-6-7(9)4-3-5-8(6)10;/h3-5H,2,10H2,1H3;1H3
InChIKeyNTXMHIUWMAYYPN-UHFFFAOYSA-N
XLogP2.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-fluorophenyl)methylazanium
CID 7144995
2-(diethoxyphosphorylmethyl)-3-fluoroaniline
CID 166609654
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
2-[[ethyl(2-methylpropyl)amino]methyl]-3-fluoroaniline
CID 63330668
3-amino-2-ethylbenzaldehyde
CID 22259616
N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63331189
3-fluoro-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 63330927
(2-amino-6-fluorophenyl)methyl-triphenylphosphanium
CID 18786099
3-amino-2-ethylbenzenesulfonyl fluoride;hydrochloride
CID 87648662
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
2-[(2-ethylbenzimidazol-1-yl)methyl]-3-fluoroaniline
CID 63331439

Frequently Asked Questions

What is the IUPAC name of azane;2-ethyl-3-fluoroaniline?
The IUPAC name of azane;2-ethyl-3-fluoroaniline (CID 68647628) is azane;2-ethyl-3-fluoroaniline.
What is the SMILES notation for azane;2-ethyl-3-fluoroaniline?
The canonical SMILES for azane;2-ethyl-3-fluoroaniline is CCc1c(N)cccc1F.N.
What is the InChIKey of azane;2-ethyl-3-fluoroaniline?
The InChIKey is NTXMHIUWMAYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.H3N/c1-2-6-7(9)4-3-5-8(6)10;/h3-5H,2,10H2,1H3;1H3.
What are the key properties of azane;2-ethyl-3-fluoroaniline?
azane;2-ethyl-3-fluoroaniline has a molecular weight of 156.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-ethyl-3-fluoroaniline is sourced from PubChem (CID 68647628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).