2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine

C14H21FN2 — CID 115125862

IUPAC2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCC1CCCCC1
InChIInChI=1S/C14H21FN2/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2
InChIKeySCPINPGNZWIEBT-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.79
Rot. Bonds4

About 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine

2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine (PubChem CID 115125862) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine
PubChem CID115125862
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCC1CCCCC1
InChIInChI=1S/C14H21FN2/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2
InChIKeySCPINPGNZWIEBT-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1-(3-Fluorophenyl)piperazine
CID 77418
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
1-(4-Fluorophenyl)piperazine
CID 75260
Despropionyl meta-fluorofentanyl
CID 23741730
N-(2-aminophenyl)-N-cyclohexylamine
CID 1517328
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
5-Fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 6485406
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
N-(Alpha-allylbenzyl)aniline
CID 478545

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine (CID 115125862) is 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1NCCC1CCCCC1.
What is the InChIKey of 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is SCPINPGNZWIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10,16H2.
What are the key properties of 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine?
2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115125862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).