4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine

C15H24FN3O — CID 63594485

IUPAC4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)CCN2CCCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-3-20-15-11-14(13(17)10-12(15)16)18(2)8-9-19-6-4-5-7-19/h10-11H,3-9,17H2,1-2H3
InChIKeyYYTNTASGACZKOF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.34
Rot. Bonds6

About 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine (PubChem CID 63594485) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
PubChem CID63594485
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)CCN2CCCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-3-20-15-11-14(13(17)10-12(15)16)18(2)8-9-19-6-4-5-7-19/h10-11H,3-9,17H2,1-2H3
InChIKeyYYTNTASGACZKOF-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine (CID 63594485) is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine is CCOc1cc(N(C)CCN2CCCC2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The InChIKey is YYTNTASGACZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-3-20-15-11-14(13(17)10-12(15)16)18(2)8-9-19-6-4-5-7-19/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine has a molecular weight of 281.38 g/mol, XLogP of 2.34, 6 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-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 63594485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).