2,4-difluoro-N-(3-methylcyclohexyl)aniline

C13H17F2N — CID 43104581

IUPAC2,4-difluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyPUHPQEXYRWNTTA-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.96
Rot. Bonds2

About 2,4-difluoro-N-(3-methylcyclohexyl)aniline

2,4-difluoro-N-(3-methylcyclohexyl)aniline (PubChem CID 43104581) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(3-methylcyclohexyl)aniline
PubChem CID43104581
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2,4-difluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyPUHPQEXYRWNTTA-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
CID 43107214
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
methyl 2,4-difluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43731418
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 43317802
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
N-(4-bromo-2,5-difluorophenyl)-4-methylcycloheptan-1-amine
CID 107609540

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2,4-difluoro-N-(3-methylcyclohexyl)aniline (CID 43104581) is 2,4-difluoro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccc(F)cc2F)C1.
What is the InChIKey of 2,4-difluoro-N-(3-methylcyclohexyl)aniline?
The InChIKey is PUHPQEXYRWNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7H2,1H3.
What are the key properties of 2,4-difluoro-N-(3-methylcyclohexyl)aniline?
2,4-difluoro-N-(3-methylcyclohexyl)aniline has a molecular weight of 225.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43104581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).