5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline

C13H17ClFN — CID 43438410

IUPAC5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyAAMHVCHEOKMZCI-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline

5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline (PubChem CID 43438410) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
PubChem CID43438410
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyAAMHVCHEOKMZCI-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
N-(5-chloro-2-fluorophenyl)oxetan-3-amine
CID 63624205
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
CID 17249915
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
3,5-dichloro-4-fluoro-N-(4-methylcyclohexyl)aniline
CID 107572849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline (CID 43438410) is 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline is CC1CCC(Nc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline?
The InChIKey is AAMHVCHEOKMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline?
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 43438410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).