4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine

C15H23FN2O2 — CID 63592689

IUPAC4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)CC2CCCCO2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-3-19-15-9-14(13(17)8-12(15)16)18(2)10-11-6-4-5-7-20-11/h8-9,11H,3-7,10,17H2,1-2H3
InChIKeyXSWBENBOUZNXCE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.81
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 63592689) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
PubChem CID63592689
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)CC2CCCCO2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-3-19-15-9-14(13(17)8-12(15)16)18(2)10-11-6-4-5-7-20-11/h8-9,11H,3-7,10,17H2,1-2H3
InChIKeyXSWBENBOUZNXCE-UHFFFAOYSA-N
XLogP2.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63683096
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63594485
6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
CID 107489292
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine (CID 63592689) is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine is CCOc1cc(N(C)CC2CCCCO2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is XSWBENBOUZNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-19-15-9-14(13(17)8-12(15)16)18(2)10-11-6-4-5-7-20-11/h8-9,11H,3-7,10,17H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 282.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 63592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).