4-cyclohexyl-2-fluoro-5-methylaniline

C13H18FN — CID 125449329

IUPAC4-cyclohexyl-2-fluoro-5-methylaniline
SMILESCc1cc(N)c(F)cc1C1CCCCC1
InChIInChI=1S/C13H18FN/c1-9-7-13(15)12(14)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeyFBTAAVOGHOGXJJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.76
Rot. Bonds1

About 4-cyclohexyl-2-fluoro-5-methylaniline

4-cyclohexyl-2-fluoro-5-methylaniline (PubChem CID 125449329) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-cyclohexyl-2-fluoro-5-methylaniline.

Molecular Properties

Compound Name4-cyclohexyl-2-fluoro-5-methylaniline
PubChem CID125449329
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-cyclohexyl-2-fluoro-5-methylaniline
SMILESCc1cc(N)c(F)cc1C1CCCCC1
InChIInChI=1S/C13H18FN/c1-9-7-13(15)12(14)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeyFBTAAVOGHOGXJJ-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one
CID 89112815
3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide
CID 89112791
4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine
CID 123421965
1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one
CID 153338522
2-cyclohexyl-4-fluoroaniline
CID 15335253
2-cyclohexyl-5-fluoroaniline
CID 19754670
4-cyclopentyl-2-(4-ethylpiperazin-1-yl)-5-methylaniline
CID 123525508
butyl 4-(5-amino-4-fluoro-2-methylphenyl)piperidine-1-carboxylate
CID 69116229
5-cyclopentyl-4-methylbenzene-1,3-diamine
CID 54013593
2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 87526136
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene
CID 174745088

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-fluoro-5-methylaniline?
The IUPAC name of 4-cyclohexyl-2-fluoro-5-methylaniline (CID 125449329) is 4-cyclohexyl-2-fluoro-5-methylaniline.
What is the SMILES notation for 4-cyclohexyl-2-fluoro-5-methylaniline?
The canonical SMILES for 4-cyclohexyl-2-fluoro-5-methylaniline is Cc1cc(N)c(F)cc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-fluoro-5-methylaniline?
The InChIKey is FBTAAVOGHOGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-7-13(15)12(14)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 4-cyclohexyl-2-fluoro-5-methylaniline?
4-cyclohexyl-2-fluoro-5-methylaniline has a molecular weight of 207.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-fluoro-5-methylaniline is sourced from PubChem (CID 125449329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).