2-fluoro-4-methoxy-N-methylaniline;hydrochloride

C8H11ClFNO — CID 175025115

IUPAC2-fluoro-4-methoxy-N-methylaniline;hydrochloride
SMILESCNc1ccc(OC)cc1F.Cl
InChIInChI=1S/C8H10FNO.ClH/c1-10-8-4-3-6(11-2)5-7(8)9;/h3-5,10H,1-2H3;1H
InChIKeyXFLJSSDRQVPRIG-UHFFFAOYSA-N
MW191.63 g/mol
LogP2.30
Rot. Bonds2

About 2-fluoro-4-methoxy-N-methylaniline;hydrochloride

2-fluoro-4-methoxy-N-methylaniline;hydrochloride (PubChem CID 175025115) has the molecular formula C8H11ClFNO and a molecular weight of 191.63 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-methylaniline;hydrochloride
PubChem CID175025115
Molecular FormulaC8H11ClFNO
Molecular Weight191.63 g/mol
Exact Mass191.05
IUPAC Name2-fluoro-4-methoxy-N-methylaniline;hydrochloride
SMILESCNc1ccc(OC)cc1F.Cl
InChIInChI=1S/C8H10FNO.ClH/c1-10-8-4-3-6(11-2)5-7(8)9;/h3-5,10H,1-2H3;1H
InChIKeyXFLJSSDRQVPRIG-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
2-iodo-4-methoxy-N-methylaniline
CID 11010799
3-(2-fluoro-4-methoxyanilino)phenol
CID 82537335
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-methylaniline;hydrochloride?
The IUPAC name of 2-fluoro-4-methoxy-N-methylaniline;hydrochloride (CID 175025115) is 2-fluoro-4-methoxy-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methoxy-N-methylaniline;hydrochloride?
The canonical SMILES for 2-fluoro-4-methoxy-N-methylaniline;hydrochloride is CNc1ccc(OC)cc1F.Cl.
What is the InChIKey of 2-fluoro-4-methoxy-N-methylaniline;hydrochloride?
The InChIKey is XFLJSSDRQVPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO.ClH/c1-10-8-4-3-6(11-2)5-7(8)9;/h3-5,10H,1-2H3;1H.
What are the key properties of 2-fluoro-4-methoxy-N-methylaniline;hydrochloride?
2-fluoro-4-methoxy-N-methylaniline;hydrochloride has a molecular weight of 191.63 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-methylaniline;hydrochloride is sourced from PubChem (CID 175025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).