4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine

C14H14ClFN2 — CID 154997195

IUPAC4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine
SMILESCc1ccc(Cl)c(-c2c(F)cc(N)c(C)c2N)c1
InChIInChI=1S/C14H14ClFN2/c1-7-3-4-10(15)9(5-7)13-11(16)6-12(17)8(2)14(13)18/h3-6H,17-18H2,1-2H3
InChIKeyXQIRQLPKVHAEQM-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.93
Rot. Bonds1

About 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine

4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine (PubChem CID 154997195) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine
PubChem CID154997195
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine
SMILESCc1ccc(Cl)c(-c2c(F)cc(N)c(C)c2N)c1
InChIInChI=1S/C14H14ClFN2/c1-7-3-4-10(15)9(5-7)13-11(16)6-12(17)8(2)14(13)18/h3-6H,17-18H2,1-2H3
InChIKeyXQIRQLPKVHAEQM-UHFFFAOYSA-N
XLogP3.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.93
H-Bond Donors ≤ 52
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-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine?
The IUPAC name of 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine (CID 154997195) is 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine?
The canonical SMILES for 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine is Cc1ccc(Cl)c(-c2c(F)cc(N)c(C)c2N)c1.
What is the InChIKey of 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine?
The InChIKey is XQIRQLPKVHAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-7-3-4-10(15)9(5-7)13-11(16)6-12(17)8(2)14(13)18/h3-6H,17-18H2,1-2H3.
What are the key properties of 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine?
4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenyl)-5-fluoro-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 154997195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).