1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine

C15H17FN2 — CID 62001859

IUPAC1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCc1ccc(N(C)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2/c1-3-11-4-7-13(8-5-11)18(2)15-9-6-12(16)10-14(15)17/h4-10H,3,17H2,1-2H3
InChIKeyFUOBXTIMLZUFQB-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.74
Rot. Bonds3

About 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine

1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 62001859) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID62001859
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCc1ccc(N(C)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2/c1-3-11-4-7-13(8-5-11)18(2)15-9-6-12(16)10-14(15)17/h4-10H,3,17H2,1-2H3
InChIKeyFUOBXTIMLZUFQB-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine (CID 62001859) is 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine is CCc1ccc(N(C)c2ccc(F)cc2N)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is FUOBXTIMLZUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-11-4-7-13(8-5-11)18(2)15-9-6-12(16)10-14(15)17/h4-10H,3,17H2,1-2H3.
What are the key properties of 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 62001859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).