4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine

C14H21FN2 — CID 103590549

IUPAC4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
SMILESCc1cc(NC2C(C)(C)C2(C)C)c(N)cc1F
InChIInChI=1S/C14H21FN2/c1-8-6-11(10(16)7-9(8)15)17-12-13(2,3)14(12,4)5/h6-7,12,17H,16H2,1-5H3
InChIKeyQLODPAUZKIAESD-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.56
Rot. Bonds2

About 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine

4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine (PubChem CID 103590549) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
PubChem CID103590549
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
SMILESCc1cc(NC2C(C)(C)C2(C)C)c(N)cc1F
InChIInChI=1S/C14H21FN2/c1-8-6-11(10(16)7-9(8)15)17-12-13(2,3)14(12,4)5/h6-7,12,17H,16H2,1-5H3
InChIKeyQLODPAUZKIAESD-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.56
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-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
4-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
4-methyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
CID 79351630
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
CID 114121281
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
CID 123370142
1-N-(3-ethylsulfanylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 114122558
1-N-(4-bromo-3,5-dimethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107571396
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine (CID 103590549) is 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine is Cc1cc(NC2C(C)(C)C2(C)C)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The InChIKey is QLODPAUZKIAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-8-6-11(10(16)7-9(8)15)17-12-13(2,3)14(12,4)5/h6-7,12,17H,16H2,1-5H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine is sourced from PubChem (CID 103590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).