2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine

C9H13FN2O — CID 130526445

IUPAC2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
SMILESCCN(OC)c1c(N)cccc1F
InChIInChI=1S/C9H13FN2O/c1-3-12(13-2)9-7(10)5-4-6-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeyZXJSYIOICPGLQQ-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.80
Rot. Bonds3

About 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine

2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine (PubChem CID 130526445) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
PubChem CID130526445
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
SMILESCCN(OC)c1c(N)cccc1F
InChIInChI=1S/C9H13FN2O/c1-3-12(13-2)9-7(10)5-4-6-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeyZXJSYIOICPGLQQ-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
CID 130949216
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115125708
4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512868
azane;2-ethyl-3-fluoroaniline
CID 68647628
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783
3-(methoxymethoxy)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 11820011
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine (CID 130526445) is 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine is CCN(OC)c1c(N)cccc1F.
What is the InChIKey of 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine?
The InChIKey is ZXJSYIOICPGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-3-12(13-2)9-7(10)5-4-6-8(9)11/h4-6H,3,11H2,1-2H3.
What are the key properties of 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine?
2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine has a molecular weight of 184.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine is sourced from PubChem (CID 130526445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).