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

C14H14ClFN2 — CID 115554521

IUPAC2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Nc2cc(Cl)c(N)cc2C)c(F)c1
InChIInChI=1S/C14H14ClFN2/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyLAOYFZHKLJJVDG-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.42
Rot. Bonds2

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

2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine (PubChem CID 115554521) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
PubChem CID115554521
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Nc2cc(Cl)c(N)cc2C)c(F)c1
InChIInChI=1S/C14H14ClFN2/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyLAOYFZHKLJJVDG-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
2-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzene-1,4-diamine
CID 83076284
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine (CID 115554521) is 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine is Cc1ccc(Nc2cc(Cl)c(N)cc2C)c(F)c1.
What is the InChIKey of 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine?
The InChIKey is LAOYFZHKLJJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine?
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine has a molecular weight of 264.73 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).