2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine

C14H15FN2 — CID 114281220

IUPAC2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-13(16)14(8-10(9)2)17-12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3
InChIKeyRCZRMDUZSNDLNN-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds2

About 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine

2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine (PubChem CID 114281220) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
PubChem CID114281220
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-13(16)14(8-10(9)2)17-12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3
InChIKeyRCZRMDUZSNDLNN-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

2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115126655
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
CID 115124059
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
1-N-[4-(diethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590376
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590102
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine (CID 114281220) is 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine is Cc1cc(N)c(Nc2ccc(F)cc2)cc1C.
What is the InChIKey of 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is RCZRMDUZSNDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-7-13(16)14(8-10(9)2)17-12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-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 2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 114281220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).