1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine

C14H21FN2 — CID 28972591

IUPAC1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1F)C1CCCCC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3
InChIKeyHAFHQUWVGOUHLZ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.57
Rot. Bonds3

About 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine

1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine (PubChem CID 28972591) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
PubChem CID28972591
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1F)C1CCCCC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3
InChIKeyHAFHQUWVGOUHLZ-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658138
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
CID 170720348
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine (CID 28972591) is 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine is CCN(c1ccc(N)cc1F)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine?
The InChIKey is HAFHQUWVGOUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3.
What are the key properties of 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine?
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 28972591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).