3-chloro-4-(3-fluorophenyl)-2-methylaniline

C13H11ClFN — CID 171916548

IUPAC3-chloro-4-(3-fluorophenyl)-2-methylaniline
SMILESCc1c(N)ccc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C13H11ClFN/c1-8-12(16)6-5-11(13(8)14)9-3-2-4-10(15)7-9/h2-7H,16H2,1H3
InChIKeyARRYWMDPHLTBDT-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

About 3-chloro-4-(3-fluorophenyl)-2-methylaniline

3-chloro-4-(3-fluorophenyl)-2-methylaniline (PubChem CID 171916548) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 3-chloro-4-(3-fluorophenyl)-2-methylaniline.

Molecular Properties

Compound Name3-chloro-4-(3-fluorophenyl)-2-methylaniline
PubChem CID171916548
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name3-chloro-4-(3-fluorophenyl)-2-methylaniline
SMILESCc1c(N)ccc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C13H11ClFN/c1-8-12(16)6-5-11(13(8)14)9-3-2-4-10(15)7-9/h2-7H,16H2,1H3
InChIKeyARRYWMDPHLTBDT-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
CID 102219851
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
3-fluoro-4-(3-methoxyphenyl)-2-methylaniline
CID 171906263
4-amino-3-(3-fluorophenyl)benzonitrile
CID 46314165
3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
CID 162731731
4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine
CID 117223618

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-fluorophenyl)-2-methylaniline?
The IUPAC name of 3-chloro-4-(3-fluorophenyl)-2-methylaniline (CID 171916548) is 3-chloro-4-(3-fluorophenyl)-2-methylaniline.
What is the SMILES notation for 3-chloro-4-(3-fluorophenyl)-2-methylaniline?
The canonical SMILES for 3-chloro-4-(3-fluorophenyl)-2-methylaniline is Cc1c(N)ccc(-c2cccc(F)c2)c1Cl.
What is the InChIKey of 3-chloro-4-(3-fluorophenyl)-2-methylaniline?
The InChIKey is ARRYWMDPHLTBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-12(16)6-5-11(13(8)14)9-3-2-4-10(15)7-9/h2-7H,16H2,1H3.
What are the key properties of 3-chloro-4-(3-fluorophenyl)-2-methylaniline?
3-chloro-4-(3-fluorophenyl)-2-methylaniline has a molecular weight of 235.69 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-fluorophenyl)-2-methylaniline is sourced from PubChem (CID 171916548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).