2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine

C18H23FN2O2 — CID 18371224

IUPAC2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2O2/c1-22-11-9-21(10-12-23-2)16-7-8-18(20)17(13-16)14-3-5-15(19)6-4-14/h3-8,13H,9-12,20H2,1-2H3
InChIKeyXFXVPZSQIORZLJ-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.17
Rot. Bonds8

About 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine

2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 18371224) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
PubChem CID18371224
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2O2/c1-22-11-9-21(10-12-23-2)16-7-8-18(20)17(13-16)14-3-5-15(19)6-4-14/h3-8,13H,9-12,20H2,1-2H3
InChIKeyXFXVPZSQIORZLJ-UHFFFAOYSA-N
XLogP3.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.17
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 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine (CID 18371224) is 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is XFXVPZSQIORZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-22-11-9-21(10-12-23-2)16-7-8-18(20)17(13-16)14-3-5-15(19)6-4-14/h3-8,13H,9-12,20H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine?
2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 318.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 18371224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).