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

C14H15FN2 — CID 79048706

IUPAC3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
SMILESCc1cc(F)cc(Nc2cccc(N)c2C)c1
InChIInChI=1S/C14H15FN2/c1-9-6-11(15)8-12(7-9)17-14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyYGKCLDYEYOEDJP-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds2

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

3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine (PubChem CID 79048706) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
PubChem CID79048706
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
SMILESCc1cc(F)cc(Nc2cccc(N)c2C)c1
InChIInChI=1S/C14H15FN2/c1-9-6-11(15)8-12(7-9)17-14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyYGKCLDYEYOEDJP-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
3-N-(3-fluoro-5-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80850965
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
3-N-(3,4-dichlorophenyl)-2-methylbenzene-1,3-diamine
CID 55147179
2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
3-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzene-1,3-diamine
CID 63076938
1-N-(3,5-difluorophenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82002659

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine (CID 79048706) is 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine is Cc1cc(F)cc(Nc2cccc(N)c2C)c1.
What is the InChIKey of 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is YGKCLDYEYOEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-6-11(15)8-12(7-9)17-14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine?
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 79048706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).