3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine

C9H13FN2O — CID 53255756

IUPAC3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCNc1cccc(F)c1N
InChIInChI=1S/C9H13FN2O/c1-13-6-5-12-8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3
InChIKeyUMCNSTHSVLGCPO-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.47
Rot. Bonds4

About 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine

3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 53255756) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID53255756
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCNc1cccc(F)c1N
InChIInChI=1S/C9H13FN2O/c1-13-6-5-12-8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3
InChIKeyUMCNSTHSVLGCPO-UHFFFAOYSA-N
XLogP1.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.47
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

1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
CID 106234436
1-N-(4-decoxybutyl)-3-fluorobenzene-1,2-diamine
CID 150244953
3-fluoro-1-N-[3-(2-methylpropoxy)propyl]benzene-1,2-diamine
CID 114097543
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
3-[2-(2-amino-3-fluoroanilino)ethyl]-1,1-dimethylurea
CID 83116888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine (CID 53255756) is 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine is COCCNc1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is UMCNSTHSVLGCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-13-6-5-12-8-4-2-3-7(10)9(8)11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine?
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 184.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 53255756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).