4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C14H15FN2 — CID 166464293

IUPAC4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3
InChIKeyPOTIBPDNIDHBLQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 166464293) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID166464293
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3
InChIKeyPOTIBPDNIDHBLQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.14
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 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 166464293) is 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cc(N)ccc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is POTIBPDNIDHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-17(2)14-9-12(16)7-8-13(14)10-3-5-11(15)6-4-10/h3-9H,16H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 166464293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).