3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine

C15H17FN2O — CID 115127025

IUPAC3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(C)cc1N(C)c1cccc(F)c1N
InChIInChI=1S/C15H17FN2O/c1-10-7-8-14(19-3)13(9-10)18(2)12-6-4-5-11(16)15(12)17/h4-9H,17H2,1-3H3
InChIKeyMPWJJCBFXRHHNP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.49
Rot. Bonds3

About 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine

3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 115127025) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
PubChem CID115127025
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(C)cc1N(C)c1cccc(F)c1N
InChIInChI=1S/C15H17FN2O/c1-10-7-8-14(19-3)13(9-10)18(2)12-6-4-5-11(16)15(12)17/h4-9H,17H2,1-3H3
InChIKeyMPWJJCBFXRHHNP-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
3-amino-4-(2-methoxy-N,5-dimethylanilino)benzonitrile
CID 115127414
N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 39358275
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline
CID 173364392
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine (CID 115127025) is 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine is COc1ccc(C)cc1N(C)c1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is MPWJJCBFXRHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-7-8-14(19-3)13(9-10)18(2)12-6-4-5-11(16)15(12)17/h4-9H,17H2,1-3H3.
What are the key properties of 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine?
3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).