1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine

C13H13FN2 — CID 43168899

IUPAC1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2F)c(N)c1
InChIInChI=1S/C13H13FN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyKEGJWWCZLUWEJT-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.46
Rot. Bonds2

About 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine

1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine (PubChem CID 43168899) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
PubChem CID43168899
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2F)c(N)c1
InChIInChI=1S/C13H13FN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyKEGJWWCZLUWEJT-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.46
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

1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 154997215
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
1-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)hydrazine
CID 174805007
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
4-methyl-1-N-(2-nitrophenyl)benzene-1,2-diamine
CID 89316368
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine (CID 43168899) is 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine is Cc1ccc(Nc2ccccc2F)c(N)c1.
What is the InChIKey of 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is KEGJWWCZLUWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine?
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43168899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).