4-fluoro-N-(3-methylcyclohexyl)aniline

C13H18FN — CID 43097581

IUPAC4-fluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9H2,1H3
InChIKeyONRYIERQTFKZBV-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.82
Rot. Bonds2

About 4-fluoro-N-(3-methylcyclohexyl)aniline

4-fluoro-N-(3-methylcyclohexyl)aniline (PubChem CID 43097581) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3-methylcyclohexyl)aniline
PubChem CID43097581
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-fluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9H2,1H3
InChIKeyONRYIERQTFKZBV-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-(3-methylcyclohexyl)-1H-indazol-6-amine
CID 43743422
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533
methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43715386

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-fluoro-N-(3-methylcyclohexyl)aniline (CID 43097581) is 4-fluoro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-fluoro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-(3-methylcyclohexyl)aniline?
The InChIKey is ONRYIERQTFKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9H2,1H3.
What are the key properties of 4-fluoro-N-(3-methylcyclohexyl)aniline?
4-fluoro-N-(3-methylcyclohexyl)aniline has a molecular weight of 207.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43097581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).