2-fluoro-4-methylaniline;hydrochloride

C7H9ClFN — CID 139976919

IUPAC2-fluoro-4-methylaniline;hydrochloride
SMILESCc1ccc(N)c(F)c1.Cl
InChIInChI=1S/C7H8FN.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
InChIKeyBBYBJQOGFFHETA-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.14
Rot. Bonds

About 2-fluoro-4-methylaniline;hydrochloride

2-fluoro-4-methylaniline;hydrochloride (PubChem CID 139976919) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-fluoro-4-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methylaniline;hydrochloride
PubChem CID139976919
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name2-fluoro-4-methylaniline;hydrochloride
SMILESCc1ccc(N)c(F)c1.Cl
InChIInChI=1S/C7H8FN.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
InChIKeyBBYBJQOGFFHETA-UHFFFAOYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.14
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

2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline
CID 159859680
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
2,4-difluoroaniline;methane
CID 155026278
2,4-difluoroaniline;hydrofluoride
CID 170944018
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
4-tert-butyl-2-fluoroaniline
CID 10464690
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylaniline;hydrochloride?
The IUPAC name of 2-fluoro-4-methylaniline;hydrochloride (CID 139976919) is 2-fluoro-4-methylaniline;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methylaniline;hydrochloride?
The canonical SMILES for 2-fluoro-4-methylaniline;hydrochloride is Cc1ccc(N)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-4-methylaniline;hydrochloride?
The InChIKey is BBYBJQOGFFHETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H.
What are the key properties of 2-fluoro-4-methylaniline;hydrochloride?
2-fluoro-4-methylaniline;hydrochloride has a molecular weight of 161.61 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylaniline;hydrochloride is sourced from PubChem (CID 139976919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).