3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine

C14H15FN2 — CID 112647070

IUPAC3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2ccc(C)cc2F)c1
InChIInChI=1S/C14H15FN2/c1-9-3-4-14(13(15)7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyOHNMCKRXGXQOHB-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds2

About 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine

3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine (PubChem CID 112647070) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
PubChem CID112647070
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2ccc(C)cc2F)c1
InChIInChI=1S/C14H15FN2/c1-9-3-4-14(13(15)7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyOHNMCKRXGXQOHB-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-(2-fluoro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721679
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647073
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
3-N-(4-bromophenyl)-5-methylbenzene-1,3-diamine
CID 112647051
5-(3-amino-5-methylanilino)-2-fluorobenzonitrile
CID 112647670
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine (CID 112647070) is 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(Nc2ccc(C)cc2F)c1.
What is the InChIKey of 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine?
The InChIKey is OHNMCKRXGXQOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-3-4-14(13(15)7-9)17-12-6-10(2)5-11(16)8-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine?
3-N-(2-fluoro-4-methylphenyl)-5-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-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112647070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).