1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine

C14H15FN2O — CID 29066421

IUPAC1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCOc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H15FN2O/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyBRJVSAOWKFWHON-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.55
Rot. Bonds4

About 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine

1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 29066421) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
PubChem CID29066421
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCOc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H15FN2O/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyBRJVSAOWKFWHON-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055
1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
CID 115124716
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29066419
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine (CID 29066421) is 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine is CCOc1ccc(Nc2ccc(F)cc2N)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is BRJVSAOWKFWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 29066421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).