1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine

C14H21FN2 — CID 79860994

IUPAC1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1(C)CCCCC1Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyRAMLJGKZPKUPMC-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.79
Rot. Bonds2

About 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine

1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (PubChem CID 79860994) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
PubChem CID79860994
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1(C)CCCCC1Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyRAMLJGKZPKUPMC-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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

N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
1-N-(2,2-dimethylcyclohexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 79861652
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 79861244
ethyl 3-amino-4-[(2,2-dimethylcyclohexyl)amino]benzoate
CID 79870537
3-amino-4-[(2,2-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 82990439
4-bromo-2-N-(2,2-dimethylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 116736105

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (CID 79860994) is 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is CC1(C)CCCCC1Nc1ccc(F)cc1N.
What is the InChIKey of 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is RAMLJGKZPKUPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)8-4-3-5-13(14)17-12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8,16H2,1-2H3.
What are the key properties of 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 79860994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).