4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine

C13H21FN2O3 — CID 63597825

IUPAC4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1cc(OC)c(F)cc1N
InChIInChI=1S/C13H21FN2O3/c1-17-6-4-16(5-7-18-2)12-9-13(19-3)10(14)8-11(12)15/h8-9H,4-7,15H2,1-3H3
InChIKeyXJAKPRBXGKJMHA-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.52
Rot. Bonds8

About 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 63597825) has the molecular formula C13H21FN2O3 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
PubChem CID63597825
Molecular FormulaC13H21FN2O3
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1cc(OC)c(F)cc1N
InChIInChI=1S/C13H21FN2O3/c1-17-6-4-16(5-7-18-2)12-9-13(19-3)10(14)8-11(12)15/h8-9H,4-7,15H2,1-3H3
InChIKeyXJAKPRBXGKJMHA-UHFFFAOYSA-N
XLogP1.52
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 83000799
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 107259012
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 63597494
1-N-[3-(dimethylamino)propyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63695499
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
2,5-difluoro-4-methoxyaniline
CID 45090681
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine (CID 63597825) is 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine is COCCN(CCOC)c1cc(OC)c(F)cc1N.
What is the InChIKey of 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is XJAKPRBXGKJMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3/c1-17-6-4-16(5-7-18-2)12-9-13(19-3)10(14)8-11(12)15/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 272.32 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 63597825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).