2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine

C14H15FN2O — CID 55130091

IUPAC2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)cc2F)c(C)c1
InChIInChI=1S/C14H15FN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyMCUFEEDEEWOOSU-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.47
Rot. Bonds3

About 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine

2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine (PubChem CID 55130091) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
PubChem CID55130091
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)cc2F)c(C)c1
InChIInChI=1S/C14H15FN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyMCUFEEDEEWOOSU-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine (CID 55130091) is 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine is COc1ccc(Nc2ccc(N)cc2F)c(C)c1.
What is the InChIKey of 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
The InChIKey is MCUFEEDEEWOOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-7-11(18-2)4-6-13(9)17-14-5-3-10(16)8-12(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine?
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 55130091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).