2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline

C22H24FN — CID 123962771

IUPAC2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline
SMILESCc1ccc2c(c1)CC(c1cc(F)ccc1N)=C2C1CCCCC1
InChIInChI=1S/C22H24FN/c1-14-7-9-18-16(11-14)12-20(19-13-17(23)8-10-21(19)24)22(18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12,24H2,1H3
InChIKeyQZIBBWMSFPQNOJ-UHFFFAOYSA-N
MW321.44 g/mol
LogP5.76
Rot. Bonds2

About 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline

2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline (PubChem CID 123962771) has the molecular formula C22H24FN and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline
PubChem CID123962771
Molecular FormulaC22H24FN
Molecular Weight321.44 g/mol
Exact Mass321.19
IUPAC Name2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline
SMILESCc1ccc2c(c1)CC(c1cc(F)ccc1N)=C2C1CCCCC1
InChIInChI=1S/C22H24FN/c1-14-7-9-18-16(11-14)12-20(19-13-17(23)8-10-21(19)24)22(18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12,24H2,1H3
InChIKeyQZIBBWMSFPQNOJ-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
CID 123675940
carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
CID 123446442
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
2-cyclohexyl-4-fluoroaniline
CID 15335253
carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
CID 123777573
2-cyclohexyl-5-fluoroaniline
CID 19754670
3-cyclohexyl-6-methyl-1H-indene
CID 123321987
2-(4-cyclobutylphenyl)-5-fluoroaniline
CID 107626896
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
carbon dioxide;3-cyclohexyl-6-methyl-1H-indene
CID 123321986
2-(3-cyclobutylphenyl)-5-methylaniline
CID 114605152
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline?
The IUPAC name of 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline (CID 123962771) is 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline is Cc1ccc2c(c1)CC(c1cc(F)ccc1N)=C2C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline?
The InChIKey is QZIBBWMSFPQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN/c1-14-7-9-18-16(11-14)12-20(19-13-17(23)8-10-21(19)24)22(18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12,24H2,1H3.
What are the key properties of 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline?
2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline has a molecular weight of 321.44 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-4-fluoroaniline is sourced from PubChem (CID 123962771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).